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

C12H24N2 — CID 116679248

IUPACN-[2-(azetidin-3-ylidene)propyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)CC(C)=C1CNC1
InChIInChI=1S/C12H24N2/c1-4-6-7-14(5-2)10-11(3)12-8-13-9-12/h13H,4-10H2,1-3H3
InChIKeyOAFJYVBNGKIVFD-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.03
Rot. Bonds6

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

N-[2-(azetidin-3-ylidene)propyl]-N-ethylbutan-1-amine (PubChem CID 116679248) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[2-(azetidin-3-ylidene)propyl]-N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-ylidene)propyl]-N-ethylbutan-1-amine
PubChem CID116679248
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[2-(azetidin-3-ylidene)propyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)CC(C)=C1CNC1
InChIInChI=1S/C12H24N2/c1-4-6-7-14(5-2)10-11(3)12-8-13-9-12/h13H,4-10H2,1-3H3
InChIKeyOAFJYVBNGKIVFD-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.03
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-ethylbutan-1-amine?
The IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-N-ethylbutan-1-amine (CID 116679248) is N-[2-(azetidin-3-ylidene)propyl]-N-ethylbutan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-ylidene)propyl]-N-ethylbutan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-ylidene)propyl]-N-ethylbutan-1-amine is CCCCN(CC)CC(C)=C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-ylidene)propyl]-N-ethylbutan-1-amine?
The InChIKey is OAFJYVBNGKIVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-6-7-14(5-2)10-11(3)12-8-13-9-12/h13H,4-10H2,1-3H3.
What are the key properties of N-[2-(azetidin-3-ylidene)propyl]-N-ethylbutan-1-amine?
N-[2-(azetidin-3-ylidene)propyl]-N-ethylbutan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 2.03, 6 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-ethylbutan-1-amine is sourced from PubChem (CID 116679248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).