N-methyl-N-[3-(trifluoromethyl)cyclohex-3-en-1-yl]azetidin-3-amine

C11H17F3N2 — CID 134459450

IUPACN-methyl-N-[3-(trifluoromethyl)cyclohex-3-en-1-yl]azetidin-3-amine
SMILESCN(C1CNC1)C1CCC=C(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2/c1-16(10-6-15-7-10)9-4-2-3-8(5-9)11(12,13)14/h3,9-10,15H,2,4-7H2,1H3
InChIKeySZEXXVCCMZWRLG-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.93
Rot. Bonds2

About N-methyl-N-[3-(trifluoromethyl)cyclohex-3-en-1-yl]azetidin-3-amine

N-methyl-N-[3-(trifluoromethyl)cyclohex-3-en-1-yl]azetidin-3-amine (PubChem CID 134459450) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-methyl-N-[3-(trifluoromethyl)cyclohex-3-en-1-yl]azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(trifluoromethyl)cyclohex-3-en-1-yl]azetidin-3-amine
PubChem CID134459450
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC NameN-methyl-N-[3-(trifluoromethyl)cyclohex-3-en-1-yl]azetidin-3-amine
SMILESCN(C1CNC1)C1CCC=C(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2/c1-16(10-6-15-7-10)9-4-2-3-8(5-9)11(12,13)14/h3,9-10,15H,2,4-7H2,1H3
InChIKeySZEXXVCCMZWRLG-UHFFFAOYSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-N-[3-(trifluoromethyl)cyclohex-3-en-1-yl]azetidin-3-amine?
The IUPAC name of N-methyl-N-[3-(trifluoromethyl)cyclohex-3-en-1-yl]azetidin-3-amine (CID 134459450) is N-methyl-N-[3-(trifluoromethyl)cyclohex-3-en-1-yl]azetidin-3-amine.
What is the SMILES notation for N-methyl-N-[3-(trifluoromethyl)cyclohex-3-en-1-yl]azetidin-3-amine?
The canonical SMILES for N-methyl-N-[3-(trifluoromethyl)cyclohex-3-en-1-yl]azetidin-3-amine is CN(C1CNC1)C1CCC=C(C(F)(F)F)C1.
What is the InChIKey of N-methyl-N-[3-(trifluoromethyl)cyclohex-3-en-1-yl]azetidin-3-amine?
The InChIKey is SZEXXVCCMZWRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-16(10-6-15-7-10)9-4-2-3-8(5-9)11(12,13)14/h3,9-10,15H,2,4-7H2,1H3.
What are the key properties of N-methyl-N-[3-(trifluoromethyl)cyclohex-3-en-1-yl]azetidin-3-amine?
N-methyl-N-[3-(trifluoromethyl)cyclohex-3-en-1-yl]azetidin-3-amine has a molecular weight of 234.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(trifluoromethyl)cyclohex-3-en-1-yl]azetidin-3-amine is sourced from PubChem (CID 134459450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).