3-amino-2-(2-hydroxyethylamino)-3-imino-N-methylpropanamide

C6H14N4O2 — CID 123873218

IUPAC3-amino-2-(2-hydroxyethylamino)-3-imino-N-methylpropanamide
SMILES[H]/N=C(\N)C(NCCO)C(=O)NC
InChIInChI=1S/C6H14N4O2/c1-9-6(12)4(5(7)8)10-2-3-11/h4,10-11H,2-3H2,1H3,(H3,7,8)(H,9,12)
InChIKeyRDRJYKWDRHYEOY-UHFFFAOYSA-N
MW174.20 g/mol
LogP-2.38
Rot. Bonds5

About 3-amino-2-(2-hydroxyethylamino)-3-imino-N-methylpropanamide

3-amino-2-(2-hydroxyethylamino)-3-imino-N-methylpropanamide (PubChem CID 123873218) has the molecular formula C6H14N4O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-amino-2-(2-hydroxyethylamino)-3-imino-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-2-(2-hydroxyethylamino)-3-imino-N-methylpropanamide
PubChem CID123873218
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Name3-amino-2-(2-hydroxyethylamino)-3-imino-N-methylpropanamide
SMILES[H]/N=C(\N)C(NCCO)C(=O)NC
InChIInChI=1S/C6H14N4O2/c1-9-6(12)4(5(7)8)10-2-3-11/h4,10-11H,2-3H2,1H3,(H3,7,8)(H,9,12)
InChIKeyRDRJYKWDRHYEOY-UHFFFAOYSA-N
XLogP-2.38
TPSA111.23 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-2.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide
CID 123166598
3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide
CID 123532737
2-(Formylamino)-3-[(2-hydroxyethyl)amino]-3-iminopropanamide
CID 12342556

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-hydroxyethylamino)-3-imino-N-methylpropanamide?
The IUPAC name of 3-amino-2-(2-hydroxyethylamino)-3-imino-N-methylpropanamide (CID 123873218) is 3-amino-2-(2-hydroxyethylamino)-3-imino-N-methylpropanamide.
What is the SMILES notation for 3-amino-2-(2-hydroxyethylamino)-3-imino-N-methylpropanamide?
The canonical SMILES for 3-amino-2-(2-hydroxyethylamino)-3-imino-N-methylpropanamide is [H]/N=C(\N)C(NCCO)C(=O)NC.
What is the InChIKey of 3-amino-2-(2-hydroxyethylamino)-3-imino-N-methylpropanamide?
The InChIKey is RDRJYKWDRHYEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2/c1-9-6(12)4(5(7)8)10-2-3-11/h4,10-11H,2-3H2,1H3,(H3,7,8)(H,9,12).
What are the key properties of 3-amino-2-(2-hydroxyethylamino)-3-imino-N-methylpropanamide?
3-amino-2-(2-hydroxyethylamino)-3-imino-N-methylpropanamide has a molecular weight of 174.20 g/mol, XLogP of -2.38, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-hydroxyethylamino)-3-imino-N-methylpropanamide is sourced from PubChem (CID 123873218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).