1,4-diazepan-5-amine

C5H13N3 — CID 147823737

IUPAC1,4-diazepan-5-amine
SMILESNC1CCNCCN1
InChIInChI=1S/C5H13N3/c6-5-1-2-7-3-4-8-5/h5,7-8H,1-4,6H2
InChIKeyHPSPVCZDMVPMCM-UHFFFAOYSA-N
MW115.18 g/mol
LogP-1.15
Rot. Bonds

About 1,4-diazepan-5-amine

1,4-diazepan-5-amine (PubChem CID 147823737) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is 1,4-diazepan-5-amine.

Molecular Properties

Compound Name1,4-diazepan-5-amine
PubChem CID147823737
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name1,4-diazepan-5-amine
SMILESNC1CCNCCN1
InChIInChI=1S/C5H13N3/c6-5-1-2-7-3-4-8-5/h5,7-8H,1-4,6H2
InChIKeyHPSPVCZDMVPMCM-UHFFFAOYSA-N
XLogP-1.15
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1,4-diazepan-5-amine 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

trans-(5R,12R)-5,12-dimethyl-1,4,8,11-tetrazacyclotetradecane
CID 95242676
5-tert-butyl-1,4-diazepane
CID 167270425
5-methyl-1,4-diazepane;dihydrochloride
CID 75530243
1,4,7,10,13,16,19,22-octazacyclotetracosane
CID 6395032
piperidin-4-amine;piperidine
CID 172695620
trans-(2S,3S)-2,3-dimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 10893941
azepan-4-amine;dihydrochloride
CID 118989390
platinum;(2S)-pyrrolidin-2-amine;sulfuric acid
CID 88607385
2-[8-(1,4,7-triazonan-2-yl)-1,5,9-triazacyclododec-2-yl]-1,4,7,10-tetrazacyclododecane
CID 126552740
hydroxylamine;piperazine
CID 172832939
4-piperidin-4-ylpiperidine;trihydrochloride
CID 172779803
5-cyclopropylazepan-4-amine
CID 84763542

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-5-amine?
The IUPAC name of 1,4-diazepan-5-amine (CID 147823737) is 1,4-diazepan-5-amine.
What is the SMILES notation for 1,4-diazepan-5-amine?
The canonical SMILES for 1,4-diazepan-5-amine is NC1CCNCCN1.
What is the InChIKey of 1,4-diazepan-5-amine?
The InChIKey is HPSPVCZDMVPMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c6-5-1-2-7-3-4-8-5/h5,7-8H,1-4,6H2.
What are the key properties of 1,4-diazepan-5-amine?
1,4-diazepan-5-amine has a molecular weight of 115.18 g/mol, XLogP of -1.15, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-5-amine is sourced from PubChem (CID 147823737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).