N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine

C14H24F3N — CID 105108121

IUPACN-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
SMILESC=CCC(NCCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H24F3N/c1-3-6-13(18-9-4-2)11-7-5-8-12(10-11)14(15,16)17/h3,11-13,18H,1,4-10H2,2H3
InChIKeyGEXADCNJGCXRHQ-UHFFFAOYSA-N
MW263.35 g/mol
LogP4.30
Rot. Bonds6

About N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine

N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine (PubChem CID 105108121) has the molecular formula C14H24F3N and a molecular weight of 263.35 g/mol. Its IUPAC name is N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
PubChem CID105108121
Molecular FormulaC14H24F3N
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC NameN-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
SMILESC=CCC(NCCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H24F3N/c1-3-6-13(18-9-4-2)11-7-5-8-12(10-11)14(15,16)17/h3,11-13,18H,1,4-10H2,2H3
InChIKeyGEXADCNJGCXRHQ-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 54.30
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-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
The IUPAC name of N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine (CID 105108121) is N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine.
What is the SMILES notation for N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
The canonical SMILES for N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine is C=CCC(NCCC)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
The InChIKey is GEXADCNJGCXRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N/c1-3-6-13(18-9-4-2)11-7-5-8-12(10-11)14(15,16)17/h3,11-13,18H,1,4-10H2,2H3.
What are the key properties of N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine has a molecular weight of 263.35 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine is sourced from PubChem (CID 105108121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).