3-[2-hydroxyethyl(methyl)amino]propanimidamide

C6H15N3O — CID 60961420

IUPAC3-[2-hydroxyethyl(methyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CCO
InChIInChI=1S/C6H15N3O/c1-9(4-5-10)3-2-6(7)8/h10H,2-5H2,1H3,(H3,7,8)
InChIKeyJOFWXRLXPOAPFS-UHFFFAOYSA-N
MW145.21 g/mol
LogP-0.76
Rot. Bonds5

About 3-[2-hydroxyethyl(methyl)amino]propanimidamide

3-[2-hydroxyethyl(methyl)amino]propanimidamide (PubChem CID 60961420) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]propanimidamide
PubChem CID60961420
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name3-[2-hydroxyethyl(methyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CCO
InChIInChI=1S/C6H15N3O/c1-9(4-5-10)3-2-6(7)8/h10H,2-5H2,1H3,(H3,7,8)
InChIKeyJOFWXRLXPOAPFS-UHFFFAOYSA-N
XLogP-0.76
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]propanimidamide?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]propanimidamide (CID 60961420) is 3-[2-hydroxyethyl(methyl)amino]propanimidamide.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]propanimidamide?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]propanimidamide is [H]/N=C(\N)CCN(C)CCO.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]propanimidamide?
The InChIKey is JOFWXRLXPOAPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-9(4-5-10)3-2-6(7)8/h10H,2-5H2,1H3,(H3,7,8).
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]propanimidamide?
3-[2-hydroxyethyl(methyl)amino]propanimidamide has a molecular weight of 145.21 g/mol, XLogP of -0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]propanimidamide is sourced from PubChem (CID 60961420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).