2-[[(E)-2-aminoethenyl]amino]propan-1-ol

C5H12N2O — CID 87083532

IUPAC2-[[(E)-2-aminoethenyl]amino]propan-1-ol
SMILESCC(CO)N/C=C/N
InChIInChI=1S/C5H12N2O/c1-5(4-8)7-3-2-6/h2-3,5,7-8H,4,6H2,1H3/b3-2+
InChIKeyDXUFYFMOKDOEJB-NSCUHMNNSA-N
MW116.16 g/mol
LogP-0.61
Rot. Bonds3

About 2-[[(E)-2-aminoethenyl]amino]propan-1-ol

2-[[(E)-2-aminoethenyl]amino]propan-1-ol (PubChem CID 87083532) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-[[(E)-2-aminoethenyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[(E)-2-aminoethenyl]amino]propan-1-ol
PubChem CID87083532
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name2-[[(E)-2-aminoethenyl]amino]propan-1-ol
SMILESCC(CO)N/C=C/N
InChIInChI=1S/C5H12N2O/c1-5(4-8)7-3-2-6/h2-3,5,7-8H,4,6H2,1H3/b3-2+
InChIKeyDXUFYFMOKDOEJB-NSCUHMNNSA-N
XLogP-0.61
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-aminoethenyl]amino]propan-1-ol?
The IUPAC name of 2-[[(E)-2-aminoethenyl]amino]propan-1-ol (CID 87083532) is 2-[[(E)-2-aminoethenyl]amino]propan-1-ol.
What is the SMILES notation for 2-[[(E)-2-aminoethenyl]amino]propan-1-ol?
The canonical SMILES for 2-[[(E)-2-aminoethenyl]amino]propan-1-ol is CC(CO)N/C=C/N.
What is the InChIKey of 2-[[(E)-2-aminoethenyl]amino]propan-1-ol?
The InChIKey is DXUFYFMOKDOEJB-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H12N2O/c1-5(4-8)7-3-2-6/h2-3,5,7-8H,4,6H2,1H3/b3-2+.
What are the key properties of 2-[[(E)-2-aminoethenyl]amino]propan-1-ol?
2-[[(E)-2-aminoethenyl]amino]propan-1-ol has a molecular weight of 116.16 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-aminoethenyl]amino]propan-1-ol is sourced from PubChem (CID 87083532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).