2-(azetidin-3-ylidene)-N-ethyl-N-(furan-2-ylmethyl)propan-1-amine

C13H20N2O — CID 116679597

IUPAC2-(azetidin-3-ylidene)-N-ethyl-N-(furan-2-ylmethyl)propan-1-amine
SMILESCCN(CC(C)=C1CNC1)Cc1ccco1
InChIInChI=1S/C13H20N2O/c1-3-15(10-13-5-4-6-16-13)9-11(2)12-7-14-8-12/h4-6,14H,3,7-10H2,1-2H3
InChIKeyYNIYSJMLZRMNSU-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.02
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-ethyl-N-(furan-2-ylmethyl)propan-1-amine

2-(azetidin-3-ylidene)-N-ethyl-N-(furan-2-ylmethyl)propan-1-amine (PubChem CID 116679597) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-ethyl-N-(furan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-ethyl-N-(furan-2-ylmethyl)propan-1-amine
PubChem CID116679597
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(azetidin-3-ylidene)-N-ethyl-N-(furan-2-ylmethyl)propan-1-amine
SMILESCCN(CC(C)=C1CNC1)Cc1ccco1
InChIInChI=1S/C13H20N2O/c1-3-15(10-13-5-4-6-16-13)9-11(2)12-7-14-8-12/h4-6,14H,3,7-10H2,1-2H3
InChIKeyYNIYSJMLZRMNSU-UHFFFAOYSA-N
XLogP2.02
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-ylidene)-N-ethyl-N-(furan-2-ylmethyl)propan-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

Related Compounds

2-[ethyl(furan-2-ylmethyl)amino]-1-phenylethanone
CID 62037006
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 61421310
1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one
CID 62037011
1-[ethyl(furan-2-ylmethyl)amino]butan-2-ol
CID 61423764
2-[ethyl(furan-2-ylmethyl)amino]-1-(3-fluorophenyl)ethanone
CID 62037198
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62461578
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone
CID 62036997
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 60970119
1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol
CID 112561353
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
CID 62037203
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-ethyl-N-(furan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N-ethyl-N-(furan-2-ylmethyl)propan-1-amine (CID 116679597) is 2-(azetidin-3-ylidene)-N-ethyl-N-(furan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-ethyl-N-(furan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-ethyl-N-(furan-2-ylmethyl)propan-1-amine is CCN(CC(C)=C1CNC1)Cc1ccco1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-ethyl-N-(furan-2-ylmethyl)propan-1-amine?
The InChIKey is YNIYSJMLZRMNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-15(10-13-5-4-6-16-13)9-11(2)12-7-14-8-12/h4-6,14H,3,7-10H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-ethyl-N-(furan-2-ylmethyl)propan-1-amine?
2-(azetidin-3-ylidene)-N-ethyl-N-(furan-2-ylmethyl)propan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-ethyl-N-(furan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 116679597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).