[1-(6-chloro-2-pyridinyl)cyclohexyl]methanamine

C12H17ClN2 — CID 96888639

IUPAC[1-(6-chloro-2-pyridinyl)cyclohexyl]methanamine
SMILESNCC1(c2cccc(Cl)n2)CCCCC1
InChIInChI=1S/C12H17ClN2/c13-11-6-4-5-10(15-11)12(9-14)7-2-1-3-8-12/h4-6H,1-3,7-9,14H2
InChIKeyOZZOQFJGWQPHAU-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.90
Rot. Bonds2

About [1-(6-chloro-2-pyridinyl)cyclohexyl]methanamine

[1-(6-chloro-2-pyridinyl)cyclohexyl]methanamine (PubChem CID 96888639) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is [1-(6-chloro-2-pyridinyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(6-chloro-2-pyridinyl)cyclohexyl]methanamine
PubChem CID96888639
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name[1-(6-chloro-2-pyridinyl)cyclohexyl]methanamine
SMILESNCC1(c2cccc(Cl)n2)CCCCC1
InChIInChI=1S/C12H17ClN2/c13-11-6-4-5-10(15-11)12(9-14)7-2-1-3-8-12/h4-6H,1-3,7-9,14H2
InChIKeyOZZOQFJGWQPHAU-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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 [1-(6-chloro-2-pyridinyl)cyclohexyl]methanamine?
The IUPAC name of [1-(6-chloro-2-pyridinyl)cyclohexyl]methanamine (CID 96888639) is [1-(6-chloro-2-pyridinyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(6-chloro-2-pyridinyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(6-chloro-2-pyridinyl)cyclohexyl]methanamine is NCC1(c2cccc(Cl)n2)CCCCC1.
What is the InChIKey of [1-(6-chloro-2-pyridinyl)cyclohexyl]methanamine?
The InChIKey is OZZOQFJGWQPHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-11-6-4-5-10(15-11)12(9-14)7-2-1-3-8-12/h4-6H,1-3,7-9,14H2.
What are the key properties of [1-(6-chloro-2-pyridinyl)cyclohexyl]methanamine?
[1-(6-chloro-2-pyridinyl)cyclohexyl]methanamine has a molecular weight of 224.73 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-2-pyridinyl)cyclohexyl]methanamine is sourced from PubChem (CID 96888639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).