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

C13H22F3N — CID 105182729

IUPAC4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
SMILESC=C(C)CCC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3N/c1-9(2)3-8-12(17)10-4-6-11(7-5-10)13(14,15)16/h10-12H,1,3-8,17H2,2H3
InChIKeyBHRUAPLYVPXMIY-UHFFFAOYSA-N
MW249.32 g/mol
LogP4.04
Rot. Bonds4

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

4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine (PubChem CID 105182729) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine.

Molecular Properties

Compound Name4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
PubChem CID105182729
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
SMILESC=C(C)CCC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3N/c1-9(2)3-8-12(17)10-4-6-11(7-5-10)13(14,15)16/h10-12H,1,3-8,17H2,2H3
InChIKeyBHRUAPLYVPXMIY-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 54.04
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

(3R)-2-methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89073715
2-Methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89154096
1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine
CID 118401831
2,6-Diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)cyclohex-3-en-1-amine
CID 123409973
1-[4-[4-(2,2-Difluoroethenyl)cyclohexyl]cyclohexyl]propan-1-amine
CID 123744312
4-Methyl-2-(3,3,3-trifluoropropyl)pent-4-en-1-amine
CID 124095435
6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine
CID 129016724
8-(3,3-Difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine
CID 129066497
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
(2S,3R)-3-methyl-3-[(2S)-pentan-2-yl]-8-(trifluoromethyl)non-8-en-2-amine
CID 163840784
1,1-Difluoro-1-[2-[3-(trifluoromethyl)buta-1,3-dien-2-yl]cyclopropyl]butan-2-amine
CID 166972177

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine?
The IUPAC name of 4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine (CID 105182729) is 4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine.
What is the SMILES notation for 4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine?
The canonical SMILES for 4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine is C=C(C)CCC(N)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine?
The InChIKey is BHRUAPLYVPXMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N/c1-9(2)3-8-12(17)10-4-6-11(7-5-10)13(14,15)16/h10-12H,1,3-8,17H2,2H3.
What are the key properties of 4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine?
4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine has a molecular weight of 249.32 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine is sourced from PubChem (CID 105182729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).