2-[[(Z)-2-aminobut-2-enyl]amino]ethanol

C6H14N2O — CID 88714619

IUPAC2-[[(Z)-2-aminobut-2-enyl]amino]ethanol
SMILESC/C=C(\N)CNCCO
InChIInChI=1S/C6H14N2O/c1-2-6(7)5-8-3-4-9/h2,8-9H,3-5,7H2,1H3/b6-2-
InChIKeyIQYRNFGUJAUMLF-KXFIGUGUSA-N
MW130.19 g/mol
LogP-0.57
Rot. Bonds4

About 2-[[(Z)-2-aminobut-2-enyl]amino]ethanol

2-[[(Z)-2-aminobut-2-enyl]amino]ethanol (PubChem CID 88714619) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-[[(Z)-2-aminobut-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(Z)-2-aminobut-2-enyl]amino]ethanol
PubChem CID88714619
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name2-[[(Z)-2-aminobut-2-enyl]amino]ethanol
SMILESC/C=C(\N)CNCCO
InChIInChI=1S/C6H14N2O/c1-2-6(7)5-8-3-4-9/h2,8-9H,3-5,7H2,1H3/b6-2-
InChIKeyIQYRNFGUJAUMLF-KXFIGUGUSA-N
XLogP-0.57
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(Z)-2-aminobut-2-enyl]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-[[(Z)-2-aminobut-2-enyl]amino]ethanol?
The IUPAC name of 2-[[(Z)-2-aminobut-2-enyl]amino]ethanol (CID 88714619) is 2-[[(Z)-2-aminobut-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[[(Z)-2-aminobut-2-enyl]amino]ethanol?
The canonical SMILES for 2-[[(Z)-2-aminobut-2-enyl]amino]ethanol is C/C=C(\N)CNCCO.
What is the InChIKey of 2-[[(Z)-2-aminobut-2-enyl]amino]ethanol?
The InChIKey is IQYRNFGUJAUMLF-KXFIGUGUSA-N. The full InChI is InChI=1S/C6H14N2O/c1-2-6(7)5-8-3-4-9/h2,8-9H,3-5,7H2,1H3/b6-2-.
What are the key properties of 2-[[(Z)-2-aminobut-2-enyl]amino]ethanol?
2-[[(Z)-2-aminobut-2-enyl]amino]ethanol has a molecular weight of 130.19 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-aminobut-2-enyl]amino]ethanol is sourced from PubChem (CID 88714619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).