6-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-2-amine

C15H23ClN2 — CID 107428686

IUPAC6-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-2-amine
SMILESCC(C)CC1CCCC(Nc2cccc(Cl)n2)C1
InChIInChI=1S/C15H23ClN2/c1-11(2)9-12-5-3-6-13(10-12)17-15-8-4-7-14(16)18-15/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3,(H,17,18)
InChIKeyRZTBRGAHBLQWKD-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.75
Rot. Bonds4

About 6-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-2-amine

6-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-2-amine (PubChem CID 107428686) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 6-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-2-amine
PubChem CID107428686
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name6-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-2-amine
SMILESCC(C)CC1CCCC(Nc2cccc(Cl)n2)C1
InChIInChI=1S/C15H23ClN2/c1-11(2)9-12-5-3-6-13(10-12)17-15-8-4-7-14(16)18-15/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3,(H,17,18)
InChIKeyRZTBRGAHBLQWKD-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.75
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 6-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-2-amine (CID 107428686) is 6-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-2-amine is CC(C)CC1CCCC(Nc2cccc(Cl)n2)C1.
What is the InChIKey of 6-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-2-amine?
The InChIKey is RZTBRGAHBLQWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11(2)9-12-5-3-6-13(10-12)17-15-8-4-7-14(16)18-15/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3,(H,17,18).
What are the key properties of 6-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-2-amine?
6-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-2-amine has a molecular weight of 266.82 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-2-amine is sourced from PubChem (CID 107428686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).