4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine

C15H31N — CID 64729558

IUPAC4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)C1CC(C)CC(C)C1
InChIInChI=1S/C15H31N/c1-6-16-14(5)10-13(4)15-8-11(2)7-12(3)9-15/h11-16H,6-10H2,1-5H3
InChIKeyPANQUZXYJDZUSF-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.08
Rot. Bonds5

About 4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine

4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine (PubChem CID 64729558) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine
PubChem CID64729558
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)C1CC(C)CC(C)C1
InChIInChI=1S/C15H31N/c1-6-16-14(5)10-13(4)15-8-11(2)7-12(3)9-15/h11-16H,6-10H2,1-5H3
InChIKeyPANQUZXYJDZUSF-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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Related Compounds

4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine
CID 64739292
4-cyclohexyl-N-ethylpentan-2-amine
CID 64718542
4-(3,5-dimethylcyclohexyl)pentan-2-ol
CID 64730562
3-(3,5-dimethylcyclohexyl)-N-ethylbutan-1-amine
CID 81018914
1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane
CID 123289124
1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane
CID 123489822
1-(3,5-dimethylcyclohexyl)-N-ethyl-4-methoxypentan-1-amine
CID 105154227
N-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423231
4-cyclopropyl-N-propylpentan-2-amine
CID 64721662
2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
CID 103168801
1-(3,5-dimethylcyclohexyl)propane-1,2-diol
CID 103452734
4-(3,5-dimethylcyclohexyl)pentan-2-one
CID 64729153

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine (CID 64729558) is 4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine is CCNC(C)CC(C)C1CC(C)CC(C)C1.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine?
The InChIKey is PANQUZXYJDZUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-16-14(5)10-13(4)15-8-11(2)7-12(3)9-15/h11-16H,6-10H2,1-5H3.
What are the key properties of 4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine?
4-(3,5-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-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine is sourced from PubChem (CID 64729558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).