1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine

C13H22F3N — CID 105153206

IUPAC1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
SMILESC=CCCCC(N)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H22F3N/c1-2-3-4-8-12(17)10-6-5-7-11(9-10)13(14,15)16/h2,10-12H,1,3-9,17H2
InChIKeyNXYCXBWTWASYFQ-UHFFFAOYSA-N
MW249.32 g/mol
LogP4.04
Rot. Bonds5

About 1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine

1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine (PubChem CID 105153206) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
PubChem CID105153206
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
SMILESC=CCCCC(N)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H22F3N/c1-2-3-4-8-12(17)10-6-5-7-11(9-10)13(14,15)16/h2,10-12H,1,3-9,17H2
InChIKeyNXYCXBWTWASYFQ-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol
CID 105102218
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153083
1-(3-ethylcyclohexyl)hex-5-en-1-amine
CID 65413113
3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105163124
1-(3-ethylcyclopentyl)hex-5-en-1-amine
CID 65411985
1-[3-(trifluoromethyl)cyclohexyl]pent-3-yn-1-amine
CID 105112547
cyclohexyl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105079907
3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030057
3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030834
(3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane
CID 146632246
1-cycloheptylhex-5-en-1-ol
CID 65399153
1-(2-methylcyclopropyl)hex-5-en-1-amine
CID 65420400

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine?
The IUPAC name of 1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine (CID 105153206) is 1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine.
What is the SMILES notation for 1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine?
The canonical SMILES for 1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine is C=CCCCC(N)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine?
The InChIKey is NXYCXBWTWASYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N/c1-2-3-4-8-12(17)10-6-5-7-11(9-10)13(14,15)16/h2,10-12H,1,3-9,17H2.
What are the key properties of 1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine?
1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine has a molecular weight of 249.32 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine is sourced from PubChem (CID 105153206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).