3-(3-chloro-5-methylcyclohexen-1-yl)pyridin-2-amine

C12H15ClN2 — CID 130596030

IUPAC3-(3-chloro-5-methylcyclohexen-1-yl)pyridin-2-amine
SMILESCC1CC(c2cccnc2N)=CC(Cl)C1
InChIInChI=1S/C12H15ClN2/c1-8-5-9(7-10(13)6-8)11-3-2-4-15-12(11)14/h2-4,7-8,10H,5-6H2,1H3,(H2,14,15)
InChIKeyPYEWBKJWEVGIPW-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.08
Rot. Bonds1

About 3-(3-chloro-5-methylcyclohexen-1-yl)pyridin-2-amine

3-(3-chloro-5-methylcyclohexen-1-yl)pyridin-2-amine (PubChem CID 130596030) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 3-(3-chloro-5-methylcyclohexen-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-chloro-5-methylcyclohexen-1-yl)pyridin-2-amine
PubChem CID130596030
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name3-(3-chloro-5-methylcyclohexen-1-yl)pyridin-2-amine
SMILESCC1CC(c2cccnc2N)=CC(Cl)C1
InChIInChI=1S/C12H15ClN2/c1-8-5-9(7-10(13)6-8)11-3-2-4-15-12(11)14/h2-4,7-8,10H,5-6H2,1H3,(H2,14,15)
InChIKeyPYEWBKJWEVGIPW-UHFFFAOYSA-N
XLogP3.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methylcyclohexen-1-yl)pyridin-2-amine?
The IUPAC name of 3-(3-chloro-5-methylcyclohexen-1-yl)pyridin-2-amine (CID 130596030) is 3-(3-chloro-5-methylcyclohexen-1-yl)pyridin-2-amine.
What is the SMILES notation for 3-(3-chloro-5-methylcyclohexen-1-yl)pyridin-2-amine?
The canonical SMILES for 3-(3-chloro-5-methylcyclohexen-1-yl)pyridin-2-amine is CC1CC(c2cccnc2N)=CC(Cl)C1.
What is the InChIKey of 3-(3-chloro-5-methylcyclohexen-1-yl)pyridin-2-amine?
The InChIKey is PYEWBKJWEVGIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-8-5-9(7-10(13)6-8)11-3-2-4-15-12(11)14/h2-4,7-8,10H,5-6H2,1H3,(H2,14,15).
What are the key properties of 3-(3-chloro-5-methylcyclohexen-1-yl)pyridin-2-amine?
3-(3-chloro-5-methylcyclohexen-1-yl)pyridin-2-amine has a molecular weight of 222.72 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-methylcyclohexen-1-yl)pyridin-2-amine is sourced from PubChem (CID 130596030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).