N-ethyl-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine

C14H24F3N — CID 105162991

IUPACN-ethyl-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
SMILESC=C(C)CC(NCC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H24F3N/c1-4-18-13(9-10(2)3)11-7-5-6-8-12(11)14(15,16)17/h11-13,18H,2,4-9H2,1,3H3
InChIKeyLVNLFYJMECCHMX-UHFFFAOYSA-N
MW263.35 g/mol
LogP4.30
Rot. Bonds5

About N-ethyl-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine

N-ethyl-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine (PubChem CID 105162991) has the molecular formula C14H24F3N and a molecular weight of 263.35 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
PubChem CID105162991
Molecular FormulaC14H24F3N
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC NameN-ethyl-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
SMILESC=C(C)CC(NCC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H24F3N/c1-4-18-13(9-10(2)3)11-7-5-6-8-12(11)14(15,16)17/h11-13,18H,2,4-9H2,1,3H3
InChIKeyLVNLFYJMECCHMX-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[5-(Trifluoromethyl)hept-1-en-2-yl]piperidine
CID 70329148
4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine
CID 129035356
4-(4,4-Difluorohex-1-en-2-yl)cyclohexan-1-amine
CID 134430016
3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine
CID 134570911
3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine
CID 138459930
N-butyl-2-methylidene-4-[4-[4-(5,5,5-trifluoropentyl)cyclohexyl]cyclohexyl]butan-1-amine
CID 139457173
4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine
CID 142528853
1-[(8aR)-6,7-difluoro-1,2,4a,5,6,7,8,8a-octahydroisoquinolin-4-yl]-N-methylpropan-2-amine
CID 154939639
cis-(1R,6R)-2,2-difluoro-6-[4-[propan-2-yl(propyl)amino]but-1-en-2-yl]cyclohexan-1-amine
CID 156429557
N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine
CID 174336602
(3S,5S)-5-tert-butyl-3-(3,3-difluoropropyl)-3-prop-1-en-2-ylpiperidine
CID 178133087
N-ethyl-1-(2-ethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
CID 79954460

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine (CID 105162991) is N-ethyl-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine is C=C(C)CC(NCC)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-ethyl-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
The InChIKey is LVNLFYJMECCHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N/c1-4-18-13(9-10(2)3)11-7-5-6-8-12(11)14(15,16)17/h11-13,18H,2,4-9H2,1,3H3.
What are the key properties of N-ethyl-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
N-ethyl-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine has a molecular weight of 263.35 g/mol, XLogP of 4.30, 5 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-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine is sourced from PubChem (CID 105162991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).