1-(2,4-dimethylpentyl)-4-propylcyclohexan-1-amine

C16H33N — CID 114200635

IUPAC1-(2,4-dimethylpentyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(CC(C)CC(C)C)CC1
InChIInChI=1S/C16H33N/c1-5-6-15-7-9-16(17,10-8-15)12-14(4)11-13(2)3/h13-15H,5-12,17H2,1-4H3
InChIKeyJSZNRPANHGLNBH-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.75
Rot. Bonds6

About 1-(2,4-dimethylpentyl)-4-propylcyclohexan-1-amine

1-(2,4-dimethylpentyl)-4-propylcyclohexan-1-amine (PubChem CID 114200635) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-(2,4-dimethylpentyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylpentyl)-4-propylcyclohexan-1-amine
PubChem CID114200635
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-(2,4-dimethylpentyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(CC(C)CC(C)C)CC1
InChIInChI=1S/C16H33N/c1-5-6-15-7-9-16(17,10-8-15)12-14(4)11-13(2)3/h13-15H,5-12,17H2,1-4H3
InChIKeyJSZNRPANHGLNBH-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylbutyl)-4-propylcyclohexan-1-amine
CID 63407800
1-(2,4-dimethylpentyl)cyclopropan-1-amine
CID 83682066
1-butan-2-yl-4-propylcyclohexan-1-amine
CID 79445578
1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine
CID 63465758
3-butyl-1-(2-methylpropyl)cyclopentan-1-amine
CID 90886547
1-propan-2-yl-4-propylcycloheptan-1-amine
CID 65086543
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
[3,5-dimethyl-1-(4-propylcyclohexyl)hexyl]hydrazine
CID 114201876
1-(2-methylsulfonylethyl)-4-propylcyclohexan-1-amine
CID 62596905
ethyl 2-(1-amino-4-propylcyclohexyl)acetate
CID 79848370
1-(4-ethylcyclohexyl)-4-propylcyclohexan-1-amine
CID 64750303
4-methyl-1-(2-methylpentyl)cycloheptan-1-amine
CID 65080308

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpentyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(2,4-dimethylpentyl)-4-propylcyclohexan-1-amine (CID 114200635) is 1-(2,4-dimethylpentyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylpentyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(2,4-dimethylpentyl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)(CC(C)CC(C)C)CC1.
What is the InChIKey of 1-(2,4-dimethylpentyl)-4-propylcyclohexan-1-amine?
The InChIKey is JSZNRPANHGLNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-5-6-15-7-9-16(17,10-8-15)12-14(4)11-13(2)3/h13-15H,5-12,17H2,1-4H3.
What are the key properties of 1-(2,4-dimethylpentyl)-4-propylcyclohexan-1-amine?
1-(2,4-dimethylpentyl)-4-propylcyclohexan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpentyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 114200635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).