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

C12H20F3N — CID 105163124

IUPAC3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
SMILESC=C(C)CC(N)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3N/c1-8(2)6-11(16)9-4-3-5-10(7-9)12(13,14)15/h9-11H,1,3-7,16H2,2H3
InChIKeyYWEMFYQCKMDZRS-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.65
Rot. Bonds3

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

3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine (PubChem CID 105163124) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
PubChem CID105163124
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
SMILESC=C(C)CC(N)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3N/c1-8(2)6-11(16)9-4-3-5-10(7-9)12(13,14)15/h9-11H,1,3-7,16H2,2H3
InChIKeyYWEMFYQCKMDZRS-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.65
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-[3-(trifluoromethyl)cyclohexyl]pent-3-yn-1-amine
CID 105112547
cyclohexyl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105079907
3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol
CID 87873280
(3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105156191
1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153206
(3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane
CID 146632246
N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 114615558
oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105147261
1-(1-bromoethyl)-3-(trifluoromethyl)cyclohexane
CID 66471870
3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105163942
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105159105
3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030057

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
The IUPAC name of 3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine (CID 105163124) is 3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine.
What is the SMILES notation for 3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
The canonical SMILES for 3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine is C=C(C)CC(N)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
The InChIKey is YWEMFYQCKMDZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-8(2)6-11(16)9-4-3-5-10(7-9)12(13,14)15/h9-11H,1,3-7,16H2,2H3.
What are the key properties of 3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine has a molecular weight of 235.29 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine is sourced from PubChem (CID 105163124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).