2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol

C7H14N2O — CID 90248428

IUPAC2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol
SMILESC/N=C/C=C(\C)NCCO
InChIInChI=1S/C7H14N2O/c1-7(3-4-8-2)9-5-6-10/h3-4,9-10H,5-6H2,1-2H3/b7-3+,8-4+
InChIKeyDBAQGWAIDLGXBU-FCXRPNKRSA-N
MW142.20 g/mol
LogP0.17
Rot. Bonds4

About 2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol

2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol (PubChem CID 90248428) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol
PubChem CID90248428
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol
SMILESC/N=C/C=C(\C)NCCO
InChIInChI=1S/C7H14N2O/c1-7(3-4-8-2)9-5-6-10/h3-4,9-10H,5-6H2,1-2H3/b7-3+,8-4+
InChIKeyDBAQGWAIDLGXBU-FCXRPNKRSA-N
XLogP0.17
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol 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 2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol?
The IUPAC name of 2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol (CID 90248428) is 2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol?
The canonical SMILES for 2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol is C/N=C/C=C(\C)NCCO.
What is the InChIKey of 2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol?
The InChIKey is DBAQGWAIDLGXBU-FCXRPNKRSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(3-4-8-2)9-5-6-10/h3-4,9-10H,5-6H2,1-2H3/b7-3+,8-4+.
What are the key properties of 2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol?
2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol has a molecular weight of 142.20 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol is sourced from PubChem (CID 90248428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).