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

C12H24N2 — CID 116679387

IUPACN-[2-(azetidin-3-ylidene)propyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)CC(C)=C1CNC1
InChIInChI=1S/C12H24N2/c1-5-10(2)8-14(4)9-11(3)12-6-13-7-12/h10,13H,5-9H2,1-4H3
InChIKeyDKZNNKMMPKRQNM-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds5

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

N-[2-(azetidin-3-ylidene)propyl]-N,2-dimethylbutan-1-amine (PubChem CID 116679387) 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,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-ylidene)propyl]-N,2-dimethylbutan-1-amine
PubChem CID116679387
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[2-(azetidin-3-ylidene)propyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)CC(C)=C1CNC1
InChIInChI=1S/C12H24N2/c1-5-10(2)8-14(4)9-11(3)12-6-13-7-12/h10,13H,5-9H2,1-4H3
InChIKeyDKZNNKMMPKRQNM-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(azetidin-3-ylidene)propyl]-N,2-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-N,2-dimethylbutan-1-amine (CID 116679387) is N-[2-(azetidin-3-ylidene)propyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-ylidene)propyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-ylidene)propyl]-N,2-dimethylbutan-1-amine is CCC(C)CN(C)CC(C)=C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-ylidene)propyl]-N,2-dimethylbutan-1-amine?
The InChIKey is DKZNNKMMPKRQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-10(2)8-14(4)9-11(3)12-6-13-7-12/h10,13H,5-9H2,1-4H3.
What are the key properties of N-[2-(azetidin-3-ylidene)propyl]-N,2-dimethylbutan-1-amine?
N-[2-(azetidin-3-ylidene)propyl]-N,2-dimethylbutan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.88, 5 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-dimethylbutan-1-amine is sourced from PubChem (CID 116679387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).