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

C12H20F3N — CID 105108665

IUPACN-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
SMILESC=CCC(NC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H20F3N/c1-3-6-11(16-2)9-7-4-5-8-10(9)12(13,14)15/h3,9-11,16H,1,4-8H2,2H3
InChIKeyXGUNYUSXWGJZLU-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.52
Rot. Bonds4

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

N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine (PubChem CID 105108665) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
PubChem CID105108665
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC NameN-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
SMILESC=CCC(NC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H20F3N/c1-3-6-11(16-2)9-7-4-5-8-10(9)12(13,14)15/h3,9-11,16H,1,4-8H2,2H3
InChIKeyXGUNYUSXWGJZLU-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.52
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

1,1,1-trifluoro-N-(3-methylbutan-2-yl)oct-7-en-2-amine
CID 156093459
7,7,7-trifluoro-N,6-dimethylhept-1-en-4-amine
CID 162600972
cis-(1S,3R)-3-fluoro-N-methyl-2-(2-methylbut-3-enyl)cyclohexan-1-amine
CID 163693207
(Z,2S,4R,5R)-7-fluoro-N,3,4,5-tetramethylhept-6-en-2-amine
CID 164044119
N-(2-methylpropyl)-2-prop-2-enylcyclohexan-1-amine
CID 85614646
N-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 104581723
N-but-3-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844773
N-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844790
1-(4,4-difluorocyclohexyl)-N-ethylbut-3-en-1-amine
CID 105108104
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108110
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108121
N-ethyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108216

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
The IUPAC name of N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine (CID 105108665) is N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine.
What is the SMILES notation for N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
The canonical SMILES for N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine is C=CCC(NC)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
The InChIKey is XGUNYUSXWGJZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-3-6-11(16-2)9-7-4-5-8-10(9)12(13,14)15/h3,9-11,16H,1,4-8H2,2H3.
What are the key properties of N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine has a molecular weight of 235.29 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine is sourced from PubChem (CID 105108665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).