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

C13H24F3N — CID 65392907

IUPAC1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESCCC1CCC(C(CCC(F)(F)F)NC)CC1
InChIInChI=1S/C13H24F3N/c1-3-10-4-6-11(7-5-10)12(17-2)8-9-13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyJQOZNFBIXTZIKN-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.13
Rot. Bonds5

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

1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine (PubChem CID 65392907) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine
PubChem CID65392907
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESCCC1CCC(C(CCC(F)(F)F)NC)CC1
InChIInChI=1S/C13H24F3N/c1-3-10-4-6-11(7-5-10)12(17-2)8-9-13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyJQOZNFBIXTZIKN-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

Analyze 1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103035720
1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 65392021
1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346285
1-(4-ethylcyclohexyl)-N-methylpent-4-yn-1-amine
CID 65393747
N-methyl-1-(4-propylcyclohexyl)butan-1-amine
CID 65423384
1-cyclopentyl-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 64565156
1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 64776046
1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 115834392
1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 104991042
1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105155375
1-(4-ethylcyclohexyl)-N-methyl-2-propan-2-ylsulfanylethanamine
CID 65132236
3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine
CID 65392509

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine (CID 65392907) is 1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine is CCC1CCC(C(CCC(F)(F)F)NC)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The InChIKey is JQOZNFBIXTZIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-3-10-4-6-11(7-5-10)12(17-2)8-9-13(14,15)16/h10-12,17H,3-9H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine?
1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine is sourced from PubChem (CID 65392907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).