2-[[(Z)-3-aminoprop-1-enyl]amino]ethanol

C5H12N2O — CID 88890824

IUPAC2-[[(Z)-3-aminoprop-1-enyl]amino]ethanol
SMILESNC/C=C\NCCO
InChIInChI=1S/C5H12N2O/c6-2-1-3-7-4-5-8/h1,3,7-8H,2,4-6H2/b3-1-
InChIKeyMLITXHDECNATRU-IWQZZHSRSA-N
MW116.16 g/mol
LogP-0.96
Rot. Bonds4

About 2-[[(Z)-3-aminoprop-1-enyl]amino]ethanol

2-[[(Z)-3-aminoprop-1-enyl]amino]ethanol (PubChem CID 88890824) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-[[(Z)-3-aminoprop-1-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(Z)-3-aminoprop-1-enyl]amino]ethanol
PubChem CID88890824
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name2-[[(Z)-3-aminoprop-1-enyl]amino]ethanol
SMILESNC/C=C\NCCO
InChIInChI=1S/C5H12N2O/c6-2-1-3-7-4-5-8/h1,3,7-8H,2,4-6H2/b3-1-
InChIKeyMLITXHDECNATRU-IWQZZHSRSA-N
XLogP-0.96
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-3-aminoprop-1-enyl]amino]ethanol?
The IUPAC name of 2-[[(Z)-3-aminoprop-1-enyl]amino]ethanol (CID 88890824) is 2-[[(Z)-3-aminoprop-1-enyl]amino]ethanol.
What is the SMILES notation for 2-[[(Z)-3-aminoprop-1-enyl]amino]ethanol?
The canonical SMILES for 2-[[(Z)-3-aminoprop-1-enyl]amino]ethanol is NC/C=C\NCCO.
What is the InChIKey of 2-[[(Z)-3-aminoprop-1-enyl]amino]ethanol?
The InChIKey is MLITXHDECNATRU-IWQZZHSRSA-N. The full InChI is InChI=1S/C5H12N2O/c6-2-1-3-7-4-5-8/h1,3,7-8H,2,4-6H2/b3-1-.
What are the key properties of 2-[[(Z)-3-aminoprop-1-enyl]amino]ethanol?
2-[[(Z)-3-aminoprop-1-enyl]amino]ethanol has a molecular weight of 116.16 g/mol, XLogP of -0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-3-aminoprop-1-enyl]amino]ethanol is sourced from PubChem (CID 88890824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).