4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine

C15H31N — CID 64739292

IUPAC4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)C1CCC(C)C(C)C1
InChIInChI=1S/C15H31N/c1-6-16-14(5)9-13(4)15-8-7-11(2)12(3)10-15/h11-16H,6-10H2,1-5H3
InChIKeyAZSPLCJWZMEIJU-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.08
Rot. Bonds5

About 4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine

4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine (PubChem CID 64739292) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine
PubChem CID64739292
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)C1CCC(C)C(C)C1
InChIInChI=1S/C15H31N/c1-6-16-14(5)9-13(4)15-8-7-11(2)12(3)10-15/h11-16H,6-10H2,1-5H3
InChIKeyAZSPLCJWZMEIJU-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine?
The IUPAC name of 4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine (CID 64739292) is 4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine.
What is the SMILES notation for 4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine?
The canonical SMILES for 4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine is CCNC(C)CC(C)C1CCC(C)C(C)C1.
What is the InChIKey of 4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine?
The InChIKey is AZSPLCJWZMEIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-16-14(5)9-13(4)15-8-7-11(2)12(3)10-15/h11-16H,6-10H2,1-5H3.
What are the key properties of 4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine?
4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine has a molecular weight of 225.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine is sourced from PubChem (CID 64739292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).