1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine

C13H24F3N — CID 65392021

IUPAC1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)C1CCC(C)(C)CC1
InChIInChI=1S/C13H24F3N/c1-12(2)7-4-10(5-8-12)11(17-3)6-9-13(14,15)16/h10-11,17H,4-9H2,1-3H3
InChIKeyNEADBDFZGBSBHH-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.13
Rot. Bonds4

About 1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine

1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine (PubChem CID 65392021) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine
PubChem CID65392021
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)C1CCC(C)(C)CC1
InChIInChI=1S/C13H24F3N/c1-12(2)7-4-10(5-8-12)11(17-3)6-9-13(14,15)16/h10-11,17H,4-9H2,1-3H3
InChIKeyNEADBDFZGBSBHH-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 65392907
1-cyclopentyl-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 64565156
1-(4,4-dimethylcyclohexyl)-N,3-dimethylpentan-1-amine
CID 65391816
1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine
CID 65391623
4,4,4-trifluoro-N-methyl-1-(oxan-2-yl)butan-1-amine
CID 104992872
[2-cyclopentyl-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231643
2-(2-chloro-3-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 115983806
2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 65392217
4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine
CID 115491425
(1-cyclopentyl-5,5,5-trifluoropentyl)hydrazine
CID 105204331
1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 65391425
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine
CID 83174667

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine (CID 65392021) is 1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine is CNC(CCC(F)(F)F)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The InChIKey is NEADBDFZGBSBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-12(2)7-4-10(5-8-12)11(17-3)6-9-13(14,15)16/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine?
1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine is sourced from PubChem (CID 65392021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).