2,3-diamino-3-imino-N-methylpropanamide

C4H10N4O — CID 123527174

IUPAC2,3-diamino-3-imino-N-methylpropanamide
SMILES[H]/N=C(\N)C(N)C(=O)NC
InChIInChI=1S/C4H10N4O/c1-8-4(9)2(5)3(6)7/h2H,5H2,1H3,(H3,6,7)(H,8,9)
InChIKeyRYERRLJZFAXVRO-UHFFFAOYSA-N
MW130.15 g/mol
LogP-2.00
Rot. Bonds2

About 2,3-diamino-3-imino-N-methylpropanamide

2,3-diamino-3-imino-N-methylpropanamide (PubChem CID 123527174) has the molecular formula C4H10N4O and a molecular weight of 130.15 g/mol. Its IUPAC name is 2,3-diamino-3-imino-N-methylpropanamide.

Molecular Properties

Compound Name2,3-diamino-3-imino-N-methylpropanamide
PubChem CID123527174
Molecular FormulaC4H10N4O
Molecular Weight130.15 g/mol
Exact Mass130.09
IUPAC Name2,3-diamino-3-imino-N-methylpropanamide
SMILES[H]/N=C(\N)C(N)C(=O)NC
InChIInChI=1S/C4H10N4O/c1-8-4(9)2(5)3(6)7/h2H,5H2,1H3,(H3,6,7)(H,8,9)
InChIKeyRYERRLJZFAXVRO-UHFFFAOYSA-N
XLogP-2.00
TPSA104.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-2.00
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'}

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Related Compounds

3-Amino-2-(formylamino)-3-iminopropanamide
CID 44719376
3-amino-3-imino-N-methylpropanamide
CID 53277858
2-(1-aminoethylideneamino)-N-methylpropanamide
CID 63173573
2,3-diamino-3-imino-N,2-dimethylpropanamide
CID 89120057
3-amino-3-imino-N-propan-2-ylpropanamide
CID 99990041
2-amino-3-(diaminomethylideneamino)-N-methylpropanamide
CID 118500669
3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide
CID 123166598
3-Amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide
CID 123374487
3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide
CID 123532737
6,7-diamino-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one
CID 123586413
7,8-Diamino-5-methyl-2,3,4,7-tetrahydro-1,5-diazocin-6-one
CID 123945777
2-[(1-Amino-1-iminopropan-2-yl)amino]acetamide
CID 123994136

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-imino-N-methylpropanamide?
The IUPAC name of 2,3-diamino-3-imino-N-methylpropanamide (CID 123527174) is 2,3-diamino-3-imino-N-methylpropanamide.
What is the SMILES notation for 2,3-diamino-3-imino-N-methylpropanamide?
The canonical SMILES for 2,3-diamino-3-imino-N-methylpropanamide is [H]/N=C(\N)C(N)C(=O)NC.
What is the InChIKey of 2,3-diamino-3-imino-N-methylpropanamide?
The InChIKey is RYERRLJZFAXVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O/c1-8-4(9)2(5)3(6)7/h2H,5H2,1H3,(H3,6,7)(H,8,9).
What are the key properties of 2,3-diamino-3-imino-N-methylpropanamide?
2,3-diamino-3-imino-N-methylpropanamide has a molecular weight of 130.15 g/mol, XLogP of -2.00, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-imino-N-methylpropanamide is sourced from PubChem (CID 123527174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).