2-(aminomethyl)-3-hydroxypropanimidamide

C4H11N3O — CID 139844010

IUPAC2-(aminomethyl)-3-hydroxypropanimidamide
SMILES[H]/N=C(\N)C(CN)CO
InChIInChI=1S/C4H11N3O/c5-1-3(2-8)4(6)7/h3,8H,1-2,5H2,(H3,6,7)
InChIKeyOANVERMALAPMRF-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.51
Rot. Bonds3

About 2-(aminomethyl)-3-hydroxypropanimidamide

2-(aminomethyl)-3-hydroxypropanimidamide (PubChem CID 139844010) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-(aminomethyl)-3-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-hydroxypropanimidamide
PubChem CID139844010
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Name2-(aminomethyl)-3-hydroxypropanimidamide
SMILES[H]/N=C(\N)C(CN)CO
InChIInChI=1S/C4H11N3O/c5-1-3(2-8)4(6)7/h3,8H,1-2,5H2,(H3,6,7)
InChIKeyOANVERMALAPMRF-UHFFFAOYSA-N
XLogP-1.51
TPSA96.12 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(aminomethyl)-3-hydroxypropanimidamide 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-(aminomethyl)-3-hydroxypropanimidamide?
The IUPAC name of 2-(aminomethyl)-3-hydroxypropanimidamide (CID 139844010) is 2-(aminomethyl)-3-hydroxypropanimidamide.
What is the SMILES notation for 2-(aminomethyl)-3-hydroxypropanimidamide?
The canonical SMILES for 2-(aminomethyl)-3-hydroxypropanimidamide is [H]/N=C(\N)C(CN)CO.
What is the InChIKey of 2-(aminomethyl)-3-hydroxypropanimidamide?
The InChIKey is OANVERMALAPMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c5-1-3(2-8)4(6)7/h3,8H,1-2,5H2,(H3,6,7).
What are the key properties of 2-(aminomethyl)-3-hydroxypropanimidamide?
2-(aminomethyl)-3-hydroxypropanimidamide has a molecular weight of 117.15 g/mol, XLogP of -1.51, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-hydroxypropanimidamide is sourced from PubChem (CID 139844010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).