N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine

C16H30F3N — CID 105138060

IUPACN-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
SMILESCCCC(C)CC(NCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H30F3N/c1-4-7-12(3)10-15(20-5-2)13-8-6-9-14(11-13)16(17,18)19/h12-15,20H,4-11H2,1-3H3
InChIKeyAMIMCGGCVUXJJK-UHFFFAOYSA-N
MW293.42 g/mol
LogP5.16
Rot. Bonds7

About N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine

N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine (PubChem CID 105138060) has the molecular formula C16H30F3N and a molecular weight of 293.42 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
PubChem CID105138060
Molecular FormulaC16H30F3N
Molecular Weight293.42 g/mol
Exact Mass293.23
IUPAC NameN-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
SMILESCCCC(C)CC(NCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H30F3N/c1-4-7-12(3)10-15(20-5-2)13-8-6-9-14(11-13)16(17,18)19/h12-15,20H,4-11H2,1-3H3
InChIKeyAMIMCGGCVUXJJK-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.42
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-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

3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105137916
N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine
CID 105126402
3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138112
N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105151620
N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105177137
N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747435
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine
CID 105077363
(3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane
CID 146632246
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153083
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
CID 105179553
N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 107063738
3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105163942

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine (CID 105138060) is N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine is CCCC(C)CC(NCC)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine?
The InChIKey is AMIMCGGCVUXJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3N/c1-4-7-12(3)10-15(20-5-2)13-8-6-9-14(11-13)16(17,18)19/h12-15,20H,4-11H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine?
N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine has a molecular weight of 293.42 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine is sourced from PubChem (CID 105138060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).