2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-prop-2-enylpropan-1-amine

C12H22N2O — CID 103339327

IUPAC2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-prop-2-enylpropan-1-amine
SMILESC=CCN(CCOC)CC(C)=C1CNC1
InChIInChI=1S/C12H22N2O/c1-4-5-14(6-7-15-3)10-11(2)12-8-13-9-12/h4,13H,1,5-10H2,2-3H3
InChIKeyCUXANEMNXBNMNA-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.04
Rot. Bonds7

About 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-prop-2-enylpropan-1-amine

2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-prop-2-enylpropan-1-amine (PubChem CID 103339327) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-prop-2-enylpropan-1-amine
PubChem CID103339327
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-prop-2-enylpropan-1-amine
SMILESC=CCN(CCOC)CC(C)=C1CNC1
InChIInChI=1S/C12H22N2O/c1-4-5-14(6-7-15-3)10-11(2)12-8-13-9-12/h4,13H,1,5-10H2,2-3H3
InChIKeyCUXANEMNXBNMNA-UHFFFAOYSA-N
XLogP1.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-prop-2-enylpropan-1-amine (CID 103339327) is 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-prop-2-enylpropan-1-amine is C=CCN(CCOC)CC(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-prop-2-enylpropan-1-amine?
The InChIKey is CUXANEMNXBNMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-5-14(6-7-15-3)10-11(2)12-8-13-9-12/h4,13H,1,5-10H2,2-3H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-prop-2-enylpropan-1-amine?
2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-prop-2-enylpropan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.04, 7 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-(2-methoxyethyl)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 103339327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).