2-chloro-N-(3,3-dimethylcyclohexyl)-4-methylpyridin-3-amine

C14H21ClN2 — CID 65484707

IUPAC2-chloro-N-(3,3-dimethylcyclohexyl)-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1CCCC(C)(C)C1
InChIInChI=1S/C14H21ClN2/c1-10-6-8-16-13(15)12(10)17-11-5-4-7-14(2,3)9-11/h6,8,11,17H,4-5,7,9H2,1-3H3
InChIKeyMQHSPGBBXFFKPD-UHFFFAOYSA-N
MW252.79 g/mol
LogP4.42
Rot. Bonds2

About 2-chloro-N-(3,3-dimethylcyclohexyl)-4-methylpyridin-3-amine

2-chloro-N-(3,3-dimethylcyclohexyl)-4-methylpyridin-3-amine (PubChem CID 65484707) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-chloro-N-(3,3-dimethylcyclohexyl)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(3,3-dimethylcyclohexyl)-4-methylpyridin-3-amine
PubChem CID65484707
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-chloro-N-(3,3-dimethylcyclohexyl)-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1CCCC(C)(C)C1
InChIInChI=1S/C14H21ClN2/c1-10-6-8-16-13(15)12(10)17-11-5-4-7-14(2,3)9-11/h6,8,11,17H,4-5,7,9H2,1-3H3
InChIKeyMQHSPGBBXFFKPD-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 54.42
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-N-(3,3-dimethylcyclohexyl)-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-(3,3-dimethylcyclohexyl)-4-methylpyridin-3-amine (CID 65484707) is 2-chloro-N-(3,3-dimethylcyclohexyl)-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(3,3-dimethylcyclohexyl)-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-(3,3-dimethylcyclohexyl)-4-methylpyridin-3-amine is Cc1ccnc(Cl)c1NC1CCCC(C)(C)C1.
What is the InChIKey of 2-chloro-N-(3,3-dimethylcyclohexyl)-4-methylpyridin-3-amine?
The InChIKey is MQHSPGBBXFFKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10-6-8-16-13(15)12(10)17-11-5-4-7-14(2,3)9-11/h6,8,11,17H,4-5,7,9H2,1-3H3.
What are the key properties of 2-chloro-N-(3,3-dimethylcyclohexyl)-4-methylpyridin-3-amine?
2-chloro-N-(3,3-dimethylcyclohexyl)-4-methylpyridin-3-amine has a molecular weight of 252.79 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3-dimethylcyclohexyl)-4-methylpyridin-3-amine is sourced from PubChem (CID 65484707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).