N-methyl-2-[(N'-methylcarbamimidoyl)amino]acetamide

C5H12N4O — CID 62358984

IUPACN-methyl-2-[(N'-methylcarbamimidoyl)amino]acetamide
SMILESC/N=C(\N)NCC(=O)NC
InChIInChI=1S/C5H12N4O/c1-7-4(10)3-9-5(6)8-2/h3H2,1-2H3,(H,7,10)(H3,6,8,9)
InChIKeyTWKSNDRVKMPUCS-UHFFFAOYSA-N
MW144.18 g/mol
LogP-1.73
Rot. Bonds2

About N-methyl-2-[(N'-methylcarbamimidoyl)amino]acetamide

N-methyl-2-[(N'-methylcarbamimidoyl)amino]acetamide (PubChem CID 62358984) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is N-methyl-2-[(N'-methylcarbamimidoyl)amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(N'-methylcarbamimidoyl)amino]acetamide
PubChem CID62358984
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC NameN-methyl-2-[(N'-methylcarbamimidoyl)amino]acetamide
SMILESC/N=C(\N)NCC(=O)NC
InChIInChI=1S/C5H12N4O/c1-7-4(10)3-9-5(6)8-2/h3H2,1-2H3,(H,7,10)(H3,6,8,9)
InChIKeyTWKSNDRVKMPUCS-UHFFFAOYSA-N
XLogP-1.73
TPSA79.51 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 ≤ 5-1.73
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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Related Compounds

2-Amino-4-imino-5-methyl-1,6-dihydro-1,3,5-triazepin-7-one
CID 137630722
2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium chloride
CID 139084097
2-Amino-3-methyl-1,4-dihydroimidazol-3-ium-5-one
CID 6971049
Creatine-ethyl amide
CID 129880541
2-amino-1-methyl-4H-imidazol-3-ium-5-one
CID 137309252
2-[carbamimidoyl(methyl)amino]-N-methylacetamide
CID 147317842
2,4-diamino-5-methyl-6H-1,3,5-triazepin-7-one
CID 224467
2,5-Diamino-1-methyl-1,5-dihydro-4H-imidazol-4-one
CID 55284079
(2-Amino-5-oxo-1,4-dihydroimidazol-4-yl)urea
CID 18339327
4,6-diamino-1-methyl-2H-1,3,5-triazine-2-carboxamide
CID 53947629
2-(diaminomethylideneamino)-N-methylacetamide
CID 57804361
2-(Ethylamino)-1,4-dihydroimidazol-5-one
CID 60083585

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(N'-methylcarbamimidoyl)amino]acetamide?
The IUPAC name of N-methyl-2-[(N'-methylcarbamimidoyl)amino]acetamide (CID 62358984) is N-methyl-2-[(N'-methylcarbamimidoyl)amino]acetamide.
What is the SMILES notation for N-methyl-2-[(N'-methylcarbamimidoyl)amino]acetamide?
The canonical SMILES for N-methyl-2-[(N'-methylcarbamimidoyl)amino]acetamide is C/N=C(\N)NCC(=O)NC.
What is the InChIKey of N-methyl-2-[(N'-methylcarbamimidoyl)amino]acetamide?
The InChIKey is TWKSNDRVKMPUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c1-7-4(10)3-9-5(6)8-2/h3H2,1-2H3,(H,7,10)(H3,6,8,9).
What are the key properties of N-methyl-2-[(N'-methylcarbamimidoyl)amino]acetamide?
N-methyl-2-[(N'-methylcarbamimidoyl)amino]acetamide has a molecular weight of 144.18 g/mol, XLogP of -1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(N'-methylcarbamimidoyl)amino]acetamide is sourced from PubChem (CID 62358984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).