1-(4,4-dimethylcyclohexyl)-N,3-dimethylpentan-1-amine

C15H31N — CID 65391816

IUPAC1-(4,4-dimethylcyclohexyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)C1CCC(C)(C)CC1
InChIInChI=1S/C15H31N/c1-6-12(2)11-14(16-5)13-7-9-15(3,4)10-8-13/h12-14,16H,6-11H2,1-5H3
InChIKeyYNVNFZIOLJFKJV-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.23
Rot. Bonds5

About 1-(4,4-dimethylcyclohexyl)-N,3-dimethylpentan-1-amine

1-(4,4-dimethylcyclohexyl)-N,3-dimethylpentan-1-amine (PubChem CID 65391816) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-N,3-dimethylpentan-1-amine
PubChem CID65391816
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1-(4,4-dimethylcyclohexyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)C1CCC(C)(C)CC1
InChIInChI=1S/C15H31N/c1-6-12(2)11-14(16-5)13-7-9-15(3,4)10-8-13/h12-14,16H,6-11H2,1-5H3
InChIKeyYNVNFZIOLJFKJV-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine
CID 65391623
1-cycloheptyl-N-ethyl-3-methylpentan-1-amine
CID 65399965
1-(6-bicyclo[3.1.0]hexanyl)-N,3-dimethylpentan-1-amine
CID 115846091
1-cyclopropyl-3-ethyl-N-methylpentan-1-amine
CID 82922957
1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 65392021
1-cyclopropyl-N-methylpropan-1-amine
CID 20693438
N-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine
CID 114820982
[3-methyl-1-(4-propan-2-ylcyclohexyl)pentyl]hydrazine
CID 105232555
1-cyclobutyl-N,3-dimethylbutan-1-amine
CID 64986919
1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 65391425
2-cyclopropyl-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65391637
[2-cyclopentyl-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231643

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-N,3-dimethylpentan-1-amine (CID 65391816) is 1-(4,4-dimethylcyclohexyl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-N,3-dimethylpentan-1-amine is CCC(C)CC(NC)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-N,3-dimethylpentan-1-amine?
The InChIKey is YNVNFZIOLJFKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-12(2)11-14(16-5)13-7-9-15(3,4)10-8-13/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-N,3-dimethylpentan-1-amine?
1-(4,4-dimethylcyclohexyl)-N,3-dimethylpentan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 65391816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).