3-cyclohexyl-3,4-dimethyl-N-propylpentan-2-amine

C16H33N — CID 130215975

IUPAC3-cyclohexyl-3,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(C)C(C)(C(C)C)C1CCCCC1
InChIInChI=1S/C16H33N/c1-6-12-17-14(4)16(5,13(2)3)15-10-8-7-9-11-15/h13-15,17H,6-12H2,1-5H3
InChIKeyNSLYSBVEJYPRQK-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.62
Rot. Bonds6

About 3-cyclohexyl-3,4-dimethyl-N-propylpentan-2-amine

3-cyclohexyl-3,4-dimethyl-N-propylpentan-2-amine (PubChem CID 130215975) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 3-cyclohexyl-3,4-dimethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-cyclohexyl-3,4-dimethyl-N-propylpentan-2-amine
PubChem CID130215975
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name3-cyclohexyl-3,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(C)C(C)(C(C)C)C1CCCCC1
InChIInChI=1S/C16H33N/c1-6-12-17-14(4)16(5,13(2)3)15-10-8-7-9-11-15/h13-15,17H,6-12H2,1-5H3
InChIKeyNSLYSBVEJYPRQK-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4-trimethylpentan-3-ylcyclohexane
CID 140706198
1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine
CID 66453429
2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol
CID 66455597
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine
CID 65412906
2-cyclohexyl-1-(propylamino)propan-2-ol
CID 62775287
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine
CID 105027902
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
3-cyclopentylpentan-3-ylcyclohexane
CID 91156849

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3,4-dimethyl-N-propylpentan-2-amine?
The IUPAC name of 3-cyclohexyl-3,4-dimethyl-N-propylpentan-2-amine (CID 130215975) is 3-cyclohexyl-3,4-dimethyl-N-propylpentan-2-amine.
What is the SMILES notation for 3-cyclohexyl-3,4-dimethyl-N-propylpentan-2-amine?
The canonical SMILES for 3-cyclohexyl-3,4-dimethyl-N-propylpentan-2-amine is CCCNC(C)C(C)(C(C)C)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3,4-dimethyl-N-propylpentan-2-amine?
The InChIKey is NSLYSBVEJYPRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-6-12-17-14(4)16(5,13(2)3)15-10-8-7-9-11-15/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 3-cyclohexyl-3,4-dimethyl-N-propylpentan-2-amine?
3-cyclohexyl-3,4-dimethyl-N-propylpentan-2-amine has a molecular weight of 239.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3,4-dimethyl-N-propylpentan-2-amine is sourced from PubChem (CID 130215975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).