[5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine

C14H21ClN2O — CID 64730996

IUPAC[5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine
SMILESCC1CC(C)CC(Oc2ncc(CN)cc2Cl)C1
InChIInChI=1S/C14H21ClN2O/c1-9-3-10(2)5-12(4-9)18-14-13(15)6-11(7-16)8-17-14/h6,8-10,12H,3-5,7,16H2,1-2H3
InChIKeyCFDIMQXUMSXTJL-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.40
Rot. Bonds3

About [5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine

[5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine (PubChem CID 64730996) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine
PubChem CID64730996
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine
SMILESCC1CC(C)CC(Oc2ncc(CN)cc2Cl)C1
InChIInChI=1S/C14H21ClN2O/c1-9-3-10(2)5-12(4-9)18-14-13(15)6-11(7-16)8-17-14/h6,8-10,12H,3-5,7,16H2,1-2H3
InChIKeyCFDIMQXUMSXTJL-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine?
The IUPAC name of [5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine (CID 64730996) is [5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine is CC1CC(C)CC(Oc2ncc(CN)cc2Cl)C1.
What is the InChIKey of [5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine?
The InChIKey is CFDIMQXUMSXTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9-3-10(2)5-12(4-9)18-14-13(15)6-11(7-16)8-17-14/h6,8-10,12H,3-5,7,16H2,1-2H3.
What are the key properties of [5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine?
[5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine has a molecular weight of 268.79 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine is sourced from PubChem (CID 64730996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).