Molecular Identity
Hexamethylenetetramine
1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
PubChem CID: 4101
Hexamethylenetetramine is a polycyclic cage that is adamantane in which the carbon atoms at positions 1, 3, 5 and 7 are replaced by nitrogen atoms. It has a role as an antibacterial drug. It is a polycyclic cage, a tetramine and a polyazaalkane.
2D Structure
Properties
C6H12N4
Molecular Formula
140.19
Molecular Weight
g/mol
140.1062
Exact Mass
Da
0.3
XLogP
Drug-like (Lipinski: < 5)
13
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
84
Complexity
SMILES
Canonical SMILES
SMILES: C1N2CN3CN1CN(C2)C3Isomeric SMILES
SMILES: C1N2CN3CN1CN(C2)C3Synonyms(20)
methenamineHexamethylenetetramine100-97-0HexamineUrotropineUrotropin1,3,5,7-TetraazaadamantaneUritoneHMTAHexamethylenamineFormamineHexamethylene tetramineMethenaminAmmoformCystamin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Hexamethylenetetramine
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