N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine

C13H22F3N — CID 43747428

IUPACN-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCCC(C(F)(F)F)C1)C1(C)CC1
InChIInChI=1S/C13H22F3N/c1-9(12(2)6-7-12)17-11-5-3-4-10(8-11)13(14,15)16/h9-11,17H,3-8H2,1-2H3
InChIKeyMUPREPWMUIXJLT-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.89
Rot. Bonds3

About N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43747428) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43747428
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCCC(C(F)(F)F)C1)C1(C)CC1
InChIInChI=1S/C13H22F3N/c1-9(12(2)6-7-12)17-11-5-3-4-10(8-11)13(14,15)16/h9-11,17H,3-8H2,1-2H3
InChIKeyMUPREPWMUIXJLT-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 43747428) is N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is CC(NC1CCCC(C(F)(F)F)C1)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is MUPREPWMUIXJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N/c1-9(12(2)6-7-12)17-11-5-3-4-10(8-11)13(14,15)16/h9-11,17H,3-8H2,1-2H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 249.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43747428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).