2-[carbamimidoyl(methyl)amino]-N-methylacetamide

C5H12N4O — CID 147317842

IUPAC2-[carbamimidoyl(methyl)amino]-N-methylacetamide
SMILES[H]/N=C(\N)N(C)CC(=O)NC
InChIInChI=1S/C5H12N4O/c1-8-4(10)3-9(2)5(6)7/h3H2,1-2H3,(H3,6,7)(H,8,10)
InChIKeyCZFJCRKBAPPLTK-UHFFFAOYSA-N
MW144.18 g/mol
LogP-1.44
Rot. Bonds2

About 2-[carbamimidoyl(methyl)amino]-N-methylacetamide

2-[carbamimidoyl(methyl)amino]-N-methylacetamide (PubChem CID 147317842) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-[carbamimidoyl(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[carbamimidoyl(methyl)amino]-N-methylacetamide
PubChem CID147317842
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name2-[carbamimidoyl(methyl)amino]-N-methylacetamide
SMILES[H]/N=C(\N)N(C)CC(=O)NC
InChIInChI=1S/C5H12N4O/c1-8-4(10)3-9(2)5(6)7/h3H2,1-2H3,(H3,6,7)(H,8,10)
InChIKeyCZFJCRKBAPPLTK-UHFFFAOYSA-N
XLogP-1.44
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 2-[carbamimidoyl(methyl)amino]-N-methylacetamide?
The IUPAC name of 2-[carbamimidoyl(methyl)amino]-N-methylacetamide (CID 147317842) is 2-[carbamimidoyl(methyl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[carbamimidoyl(methyl)amino]-N-methylacetamide?
The canonical SMILES for 2-[carbamimidoyl(methyl)amino]-N-methylacetamide is [H]/N=C(\N)N(C)CC(=O)NC.
What is the InChIKey of 2-[carbamimidoyl(methyl)amino]-N-methylacetamide?
The InChIKey is CZFJCRKBAPPLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c1-8-4(10)3-9(2)5(6)7/h3H2,1-2H3,(H3,6,7)(H,8,10).
What are the key properties of 2-[carbamimidoyl(methyl)amino]-N-methylacetamide?
2-[carbamimidoyl(methyl)amino]-N-methylacetamide has a molecular weight of 144.18 g/mol, XLogP of -1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamimidoyl(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 147317842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).