N-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine

C13H22F3N — CID 104581723

IUPACN-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESC=CCCC(C)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3N/c1-3-4-5-10(2)17-12-8-6-11(7-9-12)13(14,15)16/h3,10-12,17H,1,4-9H2,2H3
InChIKeyOQTKKLBNHGSVAM-UHFFFAOYSA-N
MW249.32 g/mol
LogP4.05
Rot. Bonds5

About N-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine

N-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104581723) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is N-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104581723
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC NameN-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESC=CCCC(C)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3N/c1-3-4-5-10(2)17-12-8-6-11(7-9-12)13(14,15)16/h3,10-12,17H,1,4-9H2,2H3
InChIKeyOQTKKLBNHGSVAM-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine (CID 104581723) is N-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine is C=CCCC(C)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is OQTKKLBNHGSVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N/c1-3-4-5-10(2)17-12-8-6-11(7-9-12)13(14,15)16/h3,10-12,17H,1,4-9H2,2H3.
What are the key properties of N-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
N-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 249.32 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104581723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).