3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine

C15H25ClN4 — CID 60869702

IUPAC3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCCN(c2ncccc2Cl)CC1
InChIInChI=1S/C15H25ClN4/c1-2-13(6-7-17)19-9-4-10-20(12-11-19)15-14(16)5-3-8-18-15/h3,5,8,13H,2,4,6-7,9-12,17H2,1H3
InChIKeyJGYZZVIKUQNPEM-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.37
Rot. Bonds5

About 3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine

3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine (PubChem CID 60869702) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
PubChem CID60869702
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCCN(c2ncccc2Cl)CC1
InChIInChI=1S/C15H25ClN4/c1-2-13(6-7-17)19-9-4-10-20(12-11-19)15-14(16)5-3-8-18-15/h3,5,8,13H,2,4,6-7,9-12,17H2,1H3
InChIKeyJGYZZVIKUQNPEM-UHFFFAOYSA-N
XLogP2.37
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine (CID 60869702) is 3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine is CCC(CCN)N1CCCN(c2ncccc2Cl)CC1.
What is the InChIKey of 3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine?
The InChIKey is JGYZZVIKUQNPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-2-13(6-7-17)19-9-4-10-20(12-11-19)15-14(16)5-3-8-18-15/h3,5,8,13H,2,4,6-7,9-12,17H2,1H3.
What are the key properties of 3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine?
3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine has a molecular weight of 296.85 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine is sourced from PubChem (CID 60869702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).