[6-chloro-3-(2-methylidenecyclohexyl)-2-pyridinyl]methanamine

C13H17ClN2 — CID 89127059

IUPAC[6-chloro-3-(2-methylidenecyclohexyl)-2-pyridinyl]methanamine
SMILESC=C1CCCCC1c1ccc(Cl)nc1CN
InChIInChI=1S/C13H17ClN2/c1-9-4-2-3-5-10(9)11-6-7-13(14)16-12(11)8-15/h6-7,10H,1-5,8,15H2
InChIKeyMWIGAVFFHLQYHE-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.41
Rot. Bonds2

About [6-chloro-3-(2-methylidenecyclohexyl)-2-pyridinyl]methanamine

[6-chloro-3-(2-methylidenecyclohexyl)-2-pyridinyl]methanamine (PubChem CID 89127059) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is [6-chloro-3-(2-methylidenecyclohexyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-chloro-3-(2-methylidenecyclohexyl)-2-pyridinyl]methanamine
PubChem CID89127059
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name[6-chloro-3-(2-methylidenecyclohexyl)-2-pyridinyl]methanamine
SMILESC=C1CCCCC1c1ccc(Cl)nc1CN
InChIInChI=1S/C13H17ClN2/c1-9-4-2-3-5-10(9)11-6-7-13(14)16-12(11)8-15/h6-7,10H,1-5,8,15H2
InChIKeyMWIGAVFFHLQYHE-UHFFFAOYSA-N
XLogP3.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-(2-methylidenecyclohexyl)-2-pyridinyl]methanamine?
The IUPAC name of [6-chloro-3-(2-methylidenecyclohexyl)-2-pyridinyl]methanamine (CID 89127059) is [6-chloro-3-(2-methylidenecyclohexyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-chloro-3-(2-methylidenecyclohexyl)-2-pyridinyl]methanamine?
The canonical SMILES for [6-chloro-3-(2-methylidenecyclohexyl)-2-pyridinyl]methanamine is C=C1CCCCC1c1ccc(Cl)nc1CN.
What is the InChIKey of [6-chloro-3-(2-methylidenecyclohexyl)-2-pyridinyl]methanamine?
The InChIKey is MWIGAVFFHLQYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-9-4-2-3-5-10(9)11-6-7-13(14)16-12(11)8-15/h6-7,10H,1-5,8,15H2.
What are the key properties of [6-chloro-3-(2-methylidenecyclohexyl)-2-pyridinyl]methanamine?
[6-chloro-3-(2-methylidenecyclohexyl)-2-pyridinyl]methanamine has a molecular weight of 236.75 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-(2-methylidenecyclohexyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 89127059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).