1-(3-chloro-4-pyridinyl)pentan-1-amine

C10H15ClN2 — CID 55270416

IUPAC1-(3-chloro-4-pyridinyl)pentan-1-amine
SMILESCCCCC(N)c1ccncc1Cl
InChIInChI=1S/C10H15ClN2/c1-2-3-4-10(12)8-5-6-13-7-9(8)11/h5-7,10H,2-4,12H2,1H3
InChIKeyQFVHLKXWDHQILD-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.92
Rot. Bonds4

About 1-(3-chloro-4-pyridinyl)pentan-1-amine

1-(3-chloro-4-pyridinyl)pentan-1-amine (PubChem CID 55270416) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)pentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)pentan-1-amine
PubChem CID55270416
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name1-(3-chloro-4-pyridinyl)pentan-1-amine
SMILESCCCCC(N)c1ccncc1Cl
InChIInChI=1S/C10H15ClN2/c1-2-3-4-10(12)8-5-6-13-7-9(8)11/h5-7,10H,2-4,12H2,1H3
InChIKeyQFVHLKXWDHQILD-UHFFFAOYSA-N
XLogP2.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-chloro-4-pyridinyl)hexan-1-amine
CID 171218349
1-(3-chloro-4-pyridinyl)undecan-1-amine
CID 105138168
(1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine
CID 171218356
(1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171198839
1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine
CID 105125649
1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine
CID 112631132
1-(3-chloro-4-pyridinyl)octan-1-ol
CID 105085038
(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218336
1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine
CID 105109629
1-(3-chloro-4-pyridinyl)-3-methylbut-3-en-1-amine
CID 105163006
1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167678
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105181188

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)pentan-1-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)pentan-1-amine (CID 55270416) is 1-(3-chloro-4-pyridinyl)pentan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)pentan-1-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)pentan-1-amine is CCCCC(N)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)pentan-1-amine?
The InChIKey is QFVHLKXWDHQILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-2-3-4-10(12)8-5-6-13-7-9(8)11/h5-7,10H,2-4,12H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)pentan-1-amine?
1-(3-chloro-4-pyridinyl)pentan-1-amine has a molecular weight of 198.70 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)pentan-1-amine is sourced from PubChem (CID 55270416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).