2-chloro-4-methyl-N-(3-methylcyclopentyl)pyridin-3-amine

C12H17ClN2 — CID 65484918

IUPAC2-chloro-4-methyl-N-(3-methylcyclopentyl)pyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1CCC(C)C1
InChIInChI=1S/C12H17ClN2/c1-8-3-4-10(7-8)15-11-9(2)5-6-14-12(11)13/h5-6,8,10,15H,3-4,7H2,1-2H3
InChIKeyRVRIWVVXGUQMOK-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.64
Rot. Bonds2

About 2-chloro-4-methyl-N-(3-methylcyclopentyl)pyridin-3-amine

2-chloro-4-methyl-N-(3-methylcyclopentyl)pyridin-3-amine (PubChem CID 65484918) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(3-methylcyclopentyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(3-methylcyclopentyl)pyridin-3-amine
PubChem CID65484918
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-chloro-4-methyl-N-(3-methylcyclopentyl)pyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1CCC(C)C1
InChIInChI=1S/C12H17ClN2/c1-8-3-4-10(7-8)15-11-9(2)5-6-14-12(11)13/h5-6,8,10,15H,3-4,7H2,1-2H3
InChIKeyRVRIWVVXGUQMOK-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.64
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(3-methylcyclopentyl)pyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-(3-methylcyclopentyl)pyridin-3-amine (CID 65484918) is 2-chloro-4-methyl-N-(3-methylcyclopentyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-(3-methylcyclopentyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-(3-methylcyclopentyl)pyridin-3-amine is Cc1ccnc(Cl)c1NC1CCC(C)C1.
What is the InChIKey of 2-chloro-4-methyl-N-(3-methylcyclopentyl)pyridin-3-amine?
The InChIKey is RVRIWVVXGUQMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-8-3-4-10(7-8)15-11-9(2)5-6-14-12(11)13/h5-6,8,10,15H,3-4,7H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-N-(3-methylcyclopentyl)pyridin-3-amine?
2-chloro-4-methyl-N-(3-methylcyclopentyl)pyridin-3-amine has a molecular weight of 224.73 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(3-methylcyclopentyl)pyridin-3-amine is sourced from PubChem (CID 65484918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).