2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine

C15H23ClN2 — CID 107428685

IUPAC2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine
SMILESCC(C)CC1CCCC(Nc2ccnc(Cl)c2)C1
InChIInChI=1S/C15H23ClN2/c1-11(2)8-12-4-3-5-13(9-12)18-14-6-7-17-15(16)10-14/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyWKGLBABRIIANLD-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.75
Rot. Bonds4

About 2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine

2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine (PubChem CID 107428685) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine
PubChem CID107428685
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine
SMILESCC(C)CC1CCCC(Nc2ccnc(Cl)c2)C1
InChIInChI=1S/C15H23ClN2/c1-11(2)8-12-4-3-5-13(9-12)18-14-6-7-17-15(16)10-14/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyWKGLBABRIIANLD-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 2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine (CID 107428685) is 2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine is CC(C)CC1CCCC(Nc2ccnc(Cl)c2)C1.
What is the InChIKey of 2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine?
The InChIKey is WKGLBABRIIANLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11(2)8-12-4-3-5-13(9-12)18-14-6-7-17-15(16)10-14/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine?
2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-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 2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine is sourced from PubChem (CID 107428685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).