3-[(3-chloro-2-methylcyclopentyl)methyl]pyridin-2-amine

C12H17ClN2 — CID 64909688

IUPAC3-[(3-chloro-2-methylcyclopentyl)methyl]pyridin-2-amine
SMILESCC1C(Cl)CCC1Cc1cccnc1N
InChIInChI=1S/C12H17ClN2/c1-8-9(4-5-11(8)13)7-10-3-2-6-15-12(10)14/h2-3,6,8-9,11H,4-5,7H2,1H3,(H2,14,15)
InChIKeyUAEIELFJXCKPKU-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.86
Rot. Bonds2

About 3-[(3-chloro-2-methylcyclopentyl)methyl]pyridin-2-amine

3-[(3-chloro-2-methylcyclopentyl)methyl]pyridin-2-amine (PubChem CID 64909688) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 3-[(3-chloro-2-methylcyclopentyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(3-chloro-2-methylcyclopentyl)methyl]pyridin-2-amine
PubChem CID64909688
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name3-[(3-chloro-2-methylcyclopentyl)methyl]pyridin-2-amine
SMILESCC1C(Cl)CCC1Cc1cccnc1N
InChIInChI=1S/C12H17ClN2/c1-8-9(4-5-11(8)13)7-10-3-2-6-15-12(10)14/h2-3,6,8-9,11H,4-5,7H2,1H3,(H2,14,15)
InChIKeyUAEIELFJXCKPKU-UHFFFAOYSA-N
XLogP2.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.86
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)methyl]pyridin-2-amine?
The IUPAC name of 3-[(3-chloro-2-methylcyclopentyl)methyl]pyridin-2-amine (CID 64909688) is 3-[(3-chloro-2-methylcyclopentyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(3-chloro-2-methylcyclopentyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(3-chloro-2-methylcyclopentyl)methyl]pyridin-2-amine is CC1C(Cl)CCC1Cc1cccnc1N.
What is the InChIKey of 3-[(3-chloro-2-methylcyclopentyl)methyl]pyridin-2-amine?
The InChIKey is UAEIELFJXCKPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-8-9(4-5-11(8)13)7-10-3-2-6-15-12(10)14/h2-3,6,8-9,11H,4-5,7H2,1H3,(H2,14,15).
What are the key properties of 3-[(3-chloro-2-methylcyclopentyl)methyl]pyridin-2-amine?
3-[(3-chloro-2-methylcyclopentyl)methyl]pyridin-2-amine has a molecular weight of 224.73 g/mol, XLogP of 2.86, 2 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)methyl]pyridin-2-amine is sourced from PubChem (CID 64909688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).