N-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine

C13H22F3N — CID 105161359

IUPACN-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
SMILESC=CC(NCCC)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3N/c1-3-9-17-12(4-2)10-5-7-11(8-6-10)13(14,15)16/h4,10-12,17H,2-3,5-9H2,1H3
InChIKeyXUHPKHHERBTWEL-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.91
Rot. Bonds5

About N-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine

N-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine (PubChem CID 105161359) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is N-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
PubChem CID105161359
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC NameN-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
SMILESC=CC(NCCC)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3N/c1-3-9-17-12(4-2)10-5-7-11(8-6-10)13(14,15)16/h4,10-12,17H,2-3,5-9H2,1H3
InChIKeyXUHPKHHERBTWEL-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
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-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
The IUPAC name of N-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine (CID 105161359) is N-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine.
What is the SMILES notation for N-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
The canonical SMILES for N-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine is C=CC(NCCC)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
The InChIKey is XUHPKHHERBTWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N/c1-3-9-17-12(4-2)10-5-7-11(8-6-10)13(14,15)16/h4,10-12,17H,2-3,5-9H2,1H3.
What are the key properties of N-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
N-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine has a molecular weight of 249.32 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine is sourced from PubChem (CID 105161359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).