[methyl-[[methyl-(N'-methylcarbamimidoyl)amino]methylcarbamoyl]amino]methyl N,N-dimethylcarbamate

C10H22N6O3 — CID 146245115

IUPAC[methyl-[[methyl-(N'-methylcarbamimidoyl)amino]methylcarbamoyl]amino]methyl N,N-dimethylcarbamate
SMILESC/N=C(\N)N(C)CNC(=O)N(C)COC(=O)N(C)C
InChIInChI=1S/C10H22N6O3/c1-12-8(11)15(4)6-13-9(17)16(5)7-19-10(18)14(2)3/h6-7H2,1-5H3,(H2,11,12)(H,13,17)
InChIKeyRUUJTEQPGDBJBP-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.88
Rot. Bonds4

About [methyl-[[methyl-(N'-methylcarbamimidoyl)amino]methylcarbamoyl]amino]methyl N,N-dimethylcarbamate

[methyl-[[methyl-(N'-methylcarbamimidoyl)amino]methylcarbamoyl]amino]methyl N,N-dimethylcarbamate (PubChem CID 146245115) has the molecular formula C10H22N6O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is [methyl-[[methyl-(N'-methylcarbamimidoyl)amino]methylcarbamoyl]amino]methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name[methyl-[[methyl-(N'-methylcarbamimidoyl)amino]methylcarbamoyl]amino]methyl N,N-dimethylcarbamate
PubChem CID146245115
Molecular FormulaC10H22N6O3
Molecular Weight274.32 g/mol
Exact Mass274.18
IUPAC Name[methyl-[[methyl-(N'-methylcarbamimidoyl)amino]methylcarbamoyl]amino]methyl N,N-dimethylcarbamate
SMILESC/N=C(\N)N(C)CNC(=O)N(C)COC(=O)N(C)C
InChIInChI=1S/C10H22N6O3/c1-12-8(11)15(4)6-13-9(17)16(5)7-19-10(18)14(2)3/h6-7H2,1-5H3,(H2,11,12)(H,13,17)
InChIKeyRUUJTEQPGDBJBP-UHFFFAOYSA-N
XLogP-0.88
TPSA103.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [methyl-[[methyl-(N'-methylcarbamimidoyl)amino]methylcarbamoyl]amino]methyl N,N-dimethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Amino-3-(methoxymethyl)-1,2-dihydro-1,3,5-triazin-6-one
CID 20442169
methyl N-(N,N,N'-trimethylcarbamimidoyl)carbamate
CID 53830824
methyl N-(N,N'-dimethylcarbamimidoyl)carbamate
CID 59930242
methanamine;methyl N-(isocyanatomethyl)carbamate;methyl N-[(methylcarbamoylamino)methyl]carbamate
CID 90889355
methyl N-[(diaminomethylideneamino)methyl]carbamate
CID 121342438
methyl N-(4-amino-6-oxo-2,5-dihydro-1H-1,3,5-triazin-2-yl)carbamate
CID 131970294
1-[[(N'-cyanocarbamimidoyl)-(methylaminomethyl)amino]methyl]-1,3-dimethylurea
CID 138749200
3-[(carbamoylamino)methyl]-1-[[(N'-cyanocarbamimidoyl)-(methylaminomethyl)amino]methyl]-1-methylurea
CID 146303627
1-[[aminomethyl-(N'-cyanocarbamimidoyl)amino]methyl]-3-[(carbamoylamino)methyl]-1-methylurea
CID 146303629
1,3-bis(N'-methylcarbamimidoyl)urea;1-methyl-3-(N'-methylcarbamimidoyl)urea
CID 157389414
methylimino(oxo)methane;methyl N-methylcarbamate;methyl N-methyl-N-(methylcarbamoyl)carbamate
CID 157492841
N,N'-dimethylmethanediamine;N,N'-dimethylmethanediimine;methyl N-methylcarbamate
CID 159057116

Frequently Asked Questions

What is the IUPAC name of [methyl-[[methyl-(N'-methylcarbamimidoyl)amino]methylcarbamoyl]amino]methyl N,N-dimethylcarbamate?
The IUPAC name of [methyl-[[methyl-(N'-methylcarbamimidoyl)amino]methylcarbamoyl]amino]methyl N,N-dimethylcarbamate (CID 146245115) is [methyl-[[methyl-(N'-methylcarbamimidoyl)amino]methylcarbamoyl]amino]methyl N,N-dimethylcarbamate.
What is the SMILES notation for [methyl-[[methyl-(N'-methylcarbamimidoyl)amino]methylcarbamoyl]amino]methyl N,N-dimethylcarbamate?
The canonical SMILES for [methyl-[[methyl-(N'-methylcarbamimidoyl)amino]methylcarbamoyl]amino]methyl N,N-dimethylcarbamate is C/N=C(\N)N(C)CNC(=O)N(C)COC(=O)N(C)C.
What is the InChIKey of [methyl-[[methyl-(N'-methylcarbamimidoyl)amino]methylcarbamoyl]amino]methyl N,N-dimethylcarbamate?
The InChIKey is RUUJTEQPGDBJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N6O3/c1-12-8(11)15(4)6-13-9(17)16(5)7-19-10(18)14(2)3/h6-7H2,1-5H3,(H2,11,12)(H,13,17).
What are the key properties of [methyl-[[methyl-(N'-methylcarbamimidoyl)amino]methylcarbamoyl]amino]methyl N,N-dimethylcarbamate?
[methyl-[[methyl-(N'-methylcarbamimidoyl)amino]methylcarbamoyl]amino]methyl N,N-dimethylcarbamate has a molecular weight of 274.32 g/mol, XLogP of -0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[[methyl-(N'-methylcarbamimidoyl)amino]methylcarbamoyl]amino]methyl N,N-dimethylcarbamate is sourced from PubChem (CID 146245115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).