1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine

C12H20F3N — CID 105153519

IUPAC1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
SMILESC=CCCC(N)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3N/c1-2-3-7-11(16)9-5-4-6-10(8-9)12(13,14)15/h2,9-11H,1,3-8,16H2
InChIKeyPOCWUUDPUZKFFM-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.65
Rot. Bonds4

About 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine

1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine (PubChem CID 105153519) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
PubChem CID105153519
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
SMILESC=CCCC(N)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3N/c1-2-3-7-11(16)9-5-4-6-10(8-9)12(13,14)15/h2,9-11H,1,3-8,16H2
InChIKeyPOCWUUDPUZKFFM-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-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

2-(Prop-2-en-1-yl)cyclohexan-1-amine
CID 12910255
trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine
CID 12910256
1-Cyclohexylpent-4-en-1-amine
CID 64298707
(1S)-1-cyclohexylpent-4-en-1-amine
CID 124488146
1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine
CID 71008416
4-[2-(2,6-Difluorocyclohex-3-en-1-yl)ethyl]cyclohex-2-en-1-amine
CID 90382271
4-Fluoro-4-prop-2-enylcyclohexan-1-amine
CID 112562510
3-Fluoro-3-prop-2-enylcyclohexan-1-amine
CID 112567608
1-(3,3-Difluorocyclohexyl)prop-2-en-1-amine
CID 130484909
5-Fluoro-6-methyl-1-(4-methylcyclohexyl)oct-7-en-4-amine
CID 134389888
4-(4,4-Difluorohex-1-en-2-yl)cyclohexan-1-amine
CID 134430016
But-2-ene;1-cyclohexyl-2,2,2-trifluoroethanamine
CID 142537452

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine?
The IUPAC name of 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine (CID 105153519) is 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine.
What is the SMILES notation for 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine?
The canonical SMILES for 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine is C=CCCC(N)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine?
The InChIKey is POCWUUDPUZKFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-2-3-7-11(16)9-5-4-6-10(8-9)12(13,14)15/h2,9-11H,1,3-8,16H2.
What are the key properties of 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine?
1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine has a molecular weight of 235.29 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine is sourced from PubChem (CID 105153519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).