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

C11H18F3N — CID 105161339

IUPACN-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
SMILESC=CC(NC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-3-10(15-2)8-6-4-5-7-9(8)11(12,13)14/h3,8-10,15H,1,4-7H2,2H3
InChIKeyGJFRCPGVUJJZNF-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.13
Rot. Bonds3

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

N-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine (PubChem CID 105161339) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is N-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
PubChem CID105161339
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC NameN-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
SMILESC=CC(NC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-3-10(15-2)8-6-4-5-7-9(8)11(12,13)14/h3,8-10,15H,1,4-7H2,2H3
InChIKeyGJFRCPGVUJJZNF-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.13
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-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
The IUPAC name of N-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine (CID 105161339) is N-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine is C=CC(NC)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
The InChIKey is GJFRCPGVUJJZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c1-3-10(15-2)8-6-4-5-7-9(8)11(12,13)14/h3,8-10,15H,1,4-7H2,2H3.
What are the key properties of N-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
N-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine has a molecular weight of 221.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine is sourced from PubChem (CID 105161339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).