2-chloro-N-(3-ethylcyclopentyl)-4-methylpyridin-3-amine

C13H19ClN2 — CID 65483934

IUPAC2-chloro-N-(3-ethylcyclopentyl)-4-methylpyridin-3-amine
SMILESCCC1CCC(Nc2c(C)ccnc2Cl)C1
InChIInChI=1S/C13H19ClN2/c1-3-10-4-5-11(8-10)16-12-9(2)6-7-15-13(12)14/h6-7,10-11,16H,3-5,8H2,1-2H3
InChIKeyUFVBKUCKUABVOE-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.03
Rot. Bonds3

About 2-chloro-N-(3-ethylcyclopentyl)-4-methylpyridin-3-amine

2-chloro-N-(3-ethylcyclopentyl)-4-methylpyridin-3-amine (PubChem CID 65483934) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-chloro-N-(3-ethylcyclopentyl)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(3-ethylcyclopentyl)-4-methylpyridin-3-amine
PubChem CID65483934
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-chloro-N-(3-ethylcyclopentyl)-4-methylpyridin-3-amine
SMILESCCC1CCC(Nc2c(C)ccnc2Cl)C1
InChIInChI=1S/C13H19ClN2/c1-3-10-4-5-11(8-10)16-12-9(2)6-7-15-13(12)14/h6-7,10-11,16H,3-5,8H2,1-2H3
InChIKeyUFVBKUCKUABVOE-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-methyl-N-(3-methylcyclopentyl)pyridin-3-amine
CID 65484918
2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine
CID 65485314
1-N-(2-chloro-4-methyl-3-pyridinyl)cyclobutane-1,3-diamine
CID 80562273
2-chloro-4-methyl-N-(4-methylcyclohexyl)pyridin-3-amine
CID 65485680
2-chloro-N-cyclododecyl-4-methylpyridin-3-amine
CID 65485507
2-chloro-4-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine
CID 79950932
2-chloro-N-(3,3-dimethylcyclohexyl)-4-methylpyridin-3-amine
CID 65484707
3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline
CID 64502448
5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine
CID 64500044
2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine
CID 79708209
2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline
CID 104726174
N-(2-tert-butylcyclohexyl)-2-chloro-4-methylpyridin-3-amine
CID 65491674

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethylcyclopentyl)-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-(3-ethylcyclopentyl)-4-methylpyridin-3-amine (CID 65483934) is 2-chloro-N-(3-ethylcyclopentyl)-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(3-ethylcyclopentyl)-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-(3-ethylcyclopentyl)-4-methylpyridin-3-amine is CCC1CCC(Nc2c(C)ccnc2Cl)C1.
What is the InChIKey of 2-chloro-N-(3-ethylcyclopentyl)-4-methylpyridin-3-amine?
The InChIKey is UFVBKUCKUABVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-3-10-4-5-11(8-10)16-12-9(2)6-7-15-13(12)14/h6-7,10-11,16H,3-5,8H2,1-2H3.
What are the key properties of 2-chloro-N-(3-ethylcyclopentyl)-4-methylpyridin-3-amine?
2-chloro-N-(3-ethylcyclopentyl)-4-methylpyridin-3-amine has a molecular weight of 238.76 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethylcyclopentyl)-4-methylpyridin-3-amine is sourced from PubChem (CID 65483934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).