N-[2-(azetidin-3-ylidene)propyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C11H17F3N2 — CID 116679790

IUPACN-[2-(azetidin-3-ylidene)propyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCC(CN(CC(F)(F)F)C1CC1)=C1CNC1
InChIInChI=1S/C11H17F3N2/c1-8(9-4-15-5-9)6-16(10-2-3-10)7-11(12,13)14/h10,15H,2-7H2,1H3
InChIKeyKTFNUJBVKDHFHD-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.93
Rot. Bonds4

About N-[2-(azetidin-3-ylidene)propyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[2-(azetidin-3-ylidene)propyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 116679790) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[2-(azetidin-3-ylidene)propyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-(azetidin-3-ylidene)propyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID116679790
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC NameN-[2-(azetidin-3-ylidene)propyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCC(CN(CC(F)(F)F)C1CC1)=C1CNC1
InChIInChI=1S/C11H17F3N2/c1-8(9-4-15-5-9)6-16(10-2-3-10)7-11(12,13)14/h10,15H,2-7H2,1H3
InChIKeyKTFNUJBVKDHFHD-UHFFFAOYSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-[2-(azetidin-3-ylidene)propyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 116679790) is N-[2-(azetidin-3-ylidene)propyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[2-(azetidin-3-ylidene)propyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[2-(azetidin-3-ylidene)propyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CC(CN(CC(F)(F)F)C1CC1)=C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-ylidene)propyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is KTFNUJBVKDHFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-8(9-4-15-5-9)6-16(10-2-3-10)7-11(12,13)14/h10,15H,2-7H2,1H3.
What are the key properties of N-[2-(azetidin-3-ylidene)propyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[2-(azetidin-3-ylidene)propyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 234.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-ylidene)propyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 116679790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).