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

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Related Compounds

3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 61375225
3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine
CID 105368917
3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine
CID 62785474
3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 106875247
3-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 43253284
4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972692
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propanenitrile
CID 63343573
[1-(3-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine
CID 107160290
(2S,3S)-2-amino-1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 84597263
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 55203317
1-(2-piperidin-1-yl-3-pyridinyl)ethanamine
CID 103846595

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).