N-[2-(azetidin-3-ylidene)propyl]-5,5,5-trifluoropentan-1-amine

C11H19F3N2 — CID 116680315

IUPACN-[2-(azetidin-3-ylidene)propyl]-5,5,5-trifluoropentan-1-amine
SMILESCC(CNCCCCC(F)(F)F)=C1CNC1
InChIInChI=1S/C11H19F3N2/c1-9(10-7-16-8-10)6-15-5-3-2-4-11(12,13)14/h15-16H,2-8H2,1H3
InChIKeyNZLBKMMELXHQRH-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.23
Rot. Bonds6

About N-[2-(azetidin-3-ylidene)propyl]-5,5,5-trifluoropentan-1-amine

N-[2-(azetidin-3-ylidene)propyl]-5,5,5-trifluoropentan-1-amine (PubChem CID 116680315) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-[2-(azetidin-3-ylidene)propyl]-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-ylidene)propyl]-5,5,5-trifluoropentan-1-amine
PubChem CID116680315
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC NameN-[2-(azetidin-3-ylidene)propyl]-5,5,5-trifluoropentan-1-amine
SMILESCC(CNCCCCC(F)(F)F)=C1CNC1
InChIInChI=1S/C11H19F3N2/c1-9(10-7-16-8-10)6-15-5-3-2-4-11(12,13)14/h15-16H,2-8H2,1H3
InChIKeyNZLBKMMELXHQRH-UHFFFAOYSA-N
XLogP2.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-5,5,5-trifluoropentan-1-amine (CID 116680315) is N-[2-(azetidin-3-ylidene)propyl]-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-ylidene)propyl]-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-ylidene)propyl]-5,5,5-trifluoropentan-1-amine is CC(CNCCCCC(F)(F)F)=C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-ylidene)propyl]-5,5,5-trifluoropentan-1-amine?
The InChIKey is NZLBKMMELXHQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-9(10-7-16-8-10)6-15-5-3-2-4-11(12,13)14/h15-16H,2-8H2,1H3.
What are the key properties of N-[2-(azetidin-3-ylidene)propyl]-5,5,5-trifluoropentan-1-amine?
N-[2-(azetidin-3-ylidene)propyl]-5,5,5-trifluoropentan-1-amine has a molecular weight of 236.28 g/mol, XLogP of 2.23, 6 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]-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 116680315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).