N-[2-(azetidin-3-ylidene)propyl]-1-(trifluoromethyl)cyclopropan-1-amine

C10H15F3N2 — CID 106219261

IUPACN-[2-(azetidin-3-ylidene)propyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(CNC1(C(F)(F)F)CC1)=C1CNC1
InChIInChI=1S/C10H15F3N2/c1-7(8-5-14-6-8)4-15-9(2-3-9)10(11,12)13/h14-15H,2-6H2,1H3
InChIKeyBDQHDRMOSARKTP-UHFFFAOYSA-N
MW220.24 g/mol
LogP1.59
Rot. Bonds3

About N-[2-(azetidin-3-ylidene)propyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[2-(azetidin-3-ylidene)propyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106219261) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is N-[2-(azetidin-3-ylidene)propyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-ylidene)propyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106219261
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC NameN-[2-(azetidin-3-ylidene)propyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(CNC1(C(F)(F)F)CC1)=C1CNC1
InChIInChI=1S/C10H15F3N2/c1-7(8-5-14-6-8)4-15-9(2-3-9)10(11,12)13/h14-15H,2-6H2,1H3
InChIKeyBDQHDRMOSARKTP-UHFFFAOYSA-N
XLogP1.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 51.59
H-Bond Donors ≤ 52
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]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106219261) is N-[2-(azetidin-3-ylidene)propyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-ylidene)propyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-ylidene)propyl]-1-(trifluoromethyl)cyclopropan-1-amine is CC(CNC1(C(F)(F)F)CC1)=C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-ylidene)propyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is BDQHDRMOSARKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-7(8-5-14-6-8)4-15-9(2-3-9)10(11,12)13/h14-15H,2-6H2,1H3.
What are the key properties of N-[2-(azetidin-3-ylidene)propyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[2-(azetidin-3-ylidene)propyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 220.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-ylidene)propyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106219261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).