3-(3-chloro-2-methylcyclopentyl)-4-methylpyridin-2-amine

C12H17ClN2 — CID 64907729

IUPAC3-(3-chloro-2-methylcyclopentyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C1CCC(Cl)C1C
InChIInChI=1S/C12H17ClN2/c1-7-5-6-15-12(14)11(7)9-3-4-10(13)8(9)2/h5-6,8-10H,3-4H2,1-2H3,(H2,14,15)
InChIKeyHFJHKOIDRVCREE-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.09
Rot. Bonds1

About 3-(3-chloro-2-methylcyclopentyl)-4-methylpyridin-2-amine

3-(3-chloro-2-methylcyclopentyl)-4-methylpyridin-2-amine (PubChem CID 64907729) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 3-(3-chloro-2-methylcyclopentyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(3-chloro-2-methylcyclopentyl)-4-methylpyridin-2-amine
PubChem CID64907729
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name3-(3-chloro-2-methylcyclopentyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1C1CCC(Cl)C1C
InChIInChI=1S/C12H17ClN2/c1-7-5-6-15-12(14)11(7)9-3-4-10(13)8(9)2/h5-6,8-10H,3-4H2,1-2H3,(H2,14,15)
InChIKeyHFJHKOIDRVCREE-UHFFFAOYSA-N
XLogP3.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.09
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-2-methylcyclopentyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-(3-chloro-2-methylcyclopentyl)-4-methylpyridin-2-amine (CID 64907729) is 3-(3-chloro-2-methylcyclopentyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-(3-chloro-2-methylcyclopentyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-(3-chloro-2-methylcyclopentyl)-4-methylpyridin-2-amine is Cc1ccnc(N)c1C1CCC(Cl)C1C.
What is the InChIKey of 3-(3-chloro-2-methylcyclopentyl)-4-methylpyridin-2-amine?
The InChIKey is HFJHKOIDRVCREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-7-5-6-15-12(14)11(7)9-3-4-10(13)8(9)2/h5-6,8-10H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of 3-(3-chloro-2-methylcyclopentyl)-4-methylpyridin-2-amine?
3-(3-chloro-2-methylcyclopentyl)-4-methylpyridin-2-amine has a molecular weight of 224.73 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylcyclopentyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 64907729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).