6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine

C24H43N7 — CID 135939020

IUPAC6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine
SMILESCCCCCCCCCCCCCCCCCC/N=c1\nc(N)c2nc[nH]c2c(N)n1
InChIInChI=1S/C24H43N7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-24-30-22(25)20-21(23(26)31-24)29-19-28-20/h19H,2-18H2,1H3,(H,28,29)(H4,25,26,27,30,31)
InChIKeyANMWCFJOWIBHMQ-UHFFFAOYSA-N
MW429.66 g/mol
LogP5.68
Rot. Bonds17

About 6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine

6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine (PubChem CID 135939020) has the molecular formula C24H43N7 and a molecular weight of 429.66 g/mol. Its IUPAC name is 6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine.

Molecular Properties

Compound Name6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine
PubChem CID135939020
Molecular FormulaC24H43N7
Molecular Weight429.66 g/mol
Exact Mass429.36
IUPAC Name6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine
SMILESCCCCCCCCCCCCCCCCCC/N=c1\nc(N)c2nc[nH]c2c(N)n1
InChIInChI=1S/C24H43N7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-24-30-22(25)20-21(23(26)31-24)29-19-28-20/h19H,2-18H2,1H3,(H,28,29)(H4,25,26,27,30,31)
InChIKeyANMWCFJOWIBHMQ-UHFFFAOYSA-N
XLogP5.68
TPSA118.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.66
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-octyl-7H-purin-6-amine
CID 139890933
2-oct-1-ynyl-7H-purin-6-amine
CID 15119230
2-ethyl-7H-purin-6-amine
CID 19795383
4-butoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine
CID 18766004
octadecanoic acid;7H-purin-6-amine
CID 141436047
4-ethoxy-6-hexadecylimino-1-hydroxypyrimidin-2-amine
CID 18766002
6-heptadecylimino-1-hydroxypyrimidin-2-amine
CID 18766018
1-hydroxy-6-octadecyliminopyrimidin-2-amine
CID 18765979
6-iodo-7H-purin-2-amine;tetrabutylazanium
CID 87077623
6-tetradecyl-7H-purine
CID 101215358
1-hydroxy-4-methoxy-6-tridecyliminopyrimidin-2-amine
CID 18765981
5-hexylpyrimidine-2,4-diamine
CID 23086565

Frequently Asked Questions

What is the IUPAC name of 6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine?
The IUPAC name of 6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine (CID 135939020) is 6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine.
What is the SMILES notation for 6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine?
The canonical SMILES for 6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine is CCCCCCCCCCCCCCCCCC/N=c1\nc(N)c2nc[nH]c2c(N)n1.
What is the InChIKey of 6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine?
The InChIKey is ANMWCFJOWIBHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-24-30-22(25)20-21(23(26)31-24)29-19-28-20/h19H,2-18H2,1H3,(H,28,29)(H4,25,26,27,30,31).
What are the key properties of 6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine?
6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine has a molecular weight of 429.66 g/mol, XLogP of 5.68, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine is sourced from PubChem (CID 135939020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).