1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine

C17H35N — CID 104989433

IUPAC1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)C1CCC(C)C(C)C1
InChIInChI=1S/C17H35N/c1-6-10-18-17(11-13(3)7-2)16-9-8-14(4)15(5)12-16/h13-18H,6-12H2,1-5H3
InChIKeyNFHVJYIQLXLVAZ-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.86
Rot. Bonds7

About 1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine

1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine (PubChem CID 104989433) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine
PubChem CID104989433
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)C1CCC(C)C(C)C1
InChIInChI=1S/C17H35N/c1-6-10-18-17(11-13(3)7-2)16-9-8-14(4)15(5)12-16/h13-18H,6-12H2,1-5H3
InChIKeyNFHVJYIQLXLVAZ-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 104989443
1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine
CID 104989434
N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 65399657
N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 64738638
N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64739449
N-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine
CID 64746524
4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine
CID 105155901
1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720679
1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine
CID 114104266
3-ethyl-1-(3-ethylcyclopentyl)-N-propylpentan-1-amine
CID 82922992
1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine
CID 65424395
3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine
CID 115846358

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine (CID 104989433) is 1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is NFHVJYIQLXLVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-6-10-18-17(11-13(3)7-2)16-9-8-14(4)15(5)12-16/h13-18H,6-12H2,1-5H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine?
1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 104989433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).