1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine

C17H35N — CID 104988659

IUPAC1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(C1CC(C)CC(C)C1)C(C)C(C)C
InChIInChI=1S/C17H35N/c1-7-8-18-17(15(6)12(2)3)16-10-13(4)9-14(5)11-16/h12-18H,7-11H2,1-6H3
InChIKeyRCMUZUGOKLAWFZ-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.72
Rot. Bonds6

About 1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine

1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine (PubChem CID 104988659) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
PubChem CID104988659
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(C1CC(C)CC(C)C1)C(C)C(C)C
InChIInChI=1S/C17H35N/c1-7-8-18-17(15(6)12(2)3)16-10-13(4)9-14(5)11-16/h12-18H,7-11H2,1-6H3
InChIKeyRCMUZUGOKLAWFZ-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Propylhexedrine
CID 7558
Perhexiline
CID 4746
Perhexiline, (S)-
CID 6604329
N-(2-Ethylhexyl)cyclohexanamine
CID 221524
4,4'-Methylenebis(N-sec-butylcyclohexamine)
CID 21885336
(alphaS)-N,alpha-Dimethylcyclohexaneethanamine
CID 71197
4-tert-butyl-N-methylcyclohexan-1-amine
CID 15921596
(2S)-2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-[(2R)-1-(methylamino)propan-2-yl]hexane-1,2-diamine
CID 24792593
(4-tert-butylcyclohexyl)methyl-[(1S)-1-[[[(1R,2R)-2-methyl-1-(methylaminomethyl)butyl]amino]methyl]butyl]amine
CID 24792601
4-cyclohexylbutyl-[(1R)-2-methyl-1-[[[(1S)-1-(methylaminomethyl)pentyl]amino]methyl]propyl]amine
CID 24793490
4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
CID 9120262
Cyclohexaneethylamine, alpha,alpha-dimethyl-N-propyl-
CID 199973

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine (CID 104988659) is 1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine is CCCNC(C1CC(C)CC(C)C1)C(C)C(C)C.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is RCMUZUGOKLAWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-7-8-18-17(15(6)12(2)3)16-10-13(4)9-14(5)11-16/h12-18H,7-11H2,1-6H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine?
1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 104988659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).