3-amino-2-(ethenylamino)propan-1-ol

C5H12N2O — CID 87833503

IUPAC3-amino-2-(ethenylamino)propan-1-ol
SMILESC=CNC(CN)CO
InChIInChI=1S/C5H12N2O/c1-2-7-5(3-6)4-8/h2,5,7-8H,1,3-4,6H2
InChIKeyCCFFZGCQPFMSRM-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.96
Rot. Bonds4

About 3-amino-2-(ethenylamino)propan-1-ol

3-amino-2-(ethenylamino)propan-1-ol (PubChem CID 87833503) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-amino-2-(ethenylamino)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(ethenylamino)propan-1-ol
PubChem CID87833503
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name3-amino-2-(ethenylamino)propan-1-ol
SMILESC=CNC(CN)CO
InChIInChI=1S/C5H12N2O/c1-2-7-5(3-6)4-8/h2,5,7-8H,1,3-4,6H2
InChIKeyCCFFZGCQPFMSRM-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(ethenylamino)propan-1-ol?
The IUPAC name of 3-amino-2-(ethenylamino)propan-1-ol (CID 87833503) is 3-amino-2-(ethenylamino)propan-1-ol.
What is the SMILES notation for 3-amino-2-(ethenylamino)propan-1-ol?
The canonical SMILES for 3-amino-2-(ethenylamino)propan-1-ol is C=CNC(CN)CO.
What is the InChIKey of 3-amino-2-(ethenylamino)propan-1-ol?
The InChIKey is CCFFZGCQPFMSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-2-7-5(3-6)4-8/h2,5,7-8H,1,3-4,6H2.
What are the key properties of 3-amino-2-(ethenylamino)propan-1-ol?
3-amino-2-(ethenylamino)propan-1-ol 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 3-amino-2-(ethenylamino)propan-1-ol is sourced from PubChem (CID 87833503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).