2-(3,4-dimethylcyclohexyl)-N-methylethanamine

C11H23N — CID 64738669

IUPAC2-(3,4-dimethylcyclohexyl)-N-methylethanamine
SMILESCNCCC1CCC(C)C(C)C1
InChIInChI=1S/C11H23N/c1-9-4-5-11(6-7-12-3)8-10(9)2/h9-12H,4-8H2,1-3H3
InChIKeyPGUIMKZTFMSJJN-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.67
Rot. Bonds3

About 2-(3,4-dimethylcyclohexyl)-N-methylethanamine

2-(3,4-dimethylcyclohexyl)-N-methylethanamine (PubChem CID 64738669) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)-N-methylethanamine
PubChem CID64738669
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-(3,4-dimethylcyclohexyl)-N-methylethanamine
SMILESCNCCC1CCC(C)C(C)C1
InChIInChI=1S/C11H23N/c1-9-4-5-11(6-7-12-3)8-10(9)2/h9-12H,4-8H2,1-3H3
InChIKeyPGUIMKZTFMSJJN-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)-N-methylethanamine (CID 64738669) is 2-(3,4-dimethylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)-N-methylethanamine is CNCCC1CCC(C)C(C)C1.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)-N-methylethanamine?
The InChIKey is PGUIMKZTFMSJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-9-4-5-11(6-7-12-3)8-10(9)2/h9-12H,4-8H2,1-3H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)-N-methylethanamine?
2-(3,4-dimethylcyclohexyl)-N-methylethanamine has a molecular weight of 169.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 64738669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).