tert-butyl N-(N-ethenyl-N'-methylcarbamimidoyl)-N-methylcarbamate

C10H19N3O2 — CID 166715447

IUPACtert-butyl N-(N-ethenyl-N'-methylcarbamimidoyl)-N-methylcarbamate
SMILESC=CN/C(=N\C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19N3O2/c1-7-12-8(11-5)13(6)9(14)15-10(2,3)4/h7H,1H2,2-6H3,(H,11,12)
InChIKeyILSAOYVMXQYJQW-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.57
Rot. Bonds1

About tert-butyl N-(N-ethenyl-N'-methylcarbamimidoyl)-N-methylcarbamate

tert-butyl N-(N-ethenyl-N'-methylcarbamimidoyl)-N-methylcarbamate (PubChem CID 166715447) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-(N-ethenyl-N'-methylcarbamimidoyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(N-ethenyl-N'-methylcarbamimidoyl)-N-methylcarbamate
PubChem CID166715447
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Nametert-butyl N-(N-ethenyl-N'-methylcarbamimidoyl)-N-methylcarbamate
SMILESC=CN/C(=N\C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19N3O2/c1-7-12-8(11-5)13(6)9(14)15-10(2,3)4/h7H,1H2,2-6H3,(H,11,12)
InChIKeyILSAOYVMXQYJQW-UHFFFAOYSA-N
XLogP1.57
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-(N-ethenyl-N'-methylcarbamimidoyl)-N-methylcarbamate 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

tert-butyl N-acetyl-N-methylcarbamate
CID 11052126
methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate
CID 102192656
tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate
CID 170975536
tert-butyl N-[(E)-N,N-diethyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-methylcarbamate
CID 11034862
tert-butyl N-[2-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]ethyl]-N-propylcarbamate
CID 109391260
tert-butyl N-ethyl-N-[2-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]ethyl]carbamate;hydroiodide
CID 110982138
tert-butyl N-methyl-N-(methylamino)carbamate
CID 10678541
methyl N-methyl-N-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]carbamate
CID 143469115
tert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate
CID 58446238
tert-butyl N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]carbamate
CID 109484339
tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate
CID 125496778
2-aminoacetic acid;tert-butyl N-ethenylcarbamate
CID 87790423

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(N-ethenyl-N'-methylcarbamimidoyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(N-ethenyl-N'-methylcarbamimidoyl)-N-methylcarbamate (CID 166715447) is tert-butyl N-(N-ethenyl-N'-methylcarbamimidoyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(N-ethenyl-N'-methylcarbamimidoyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(N-ethenyl-N'-methylcarbamimidoyl)-N-methylcarbamate is C=CN/C(=N\C)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(N-ethenyl-N'-methylcarbamimidoyl)-N-methylcarbamate?
The InChIKey is ILSAOYVMXQYJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7-12-8(11-5)13(6)9(14)15-10(2,3)4/h7H,1H2,2-6H3,(H,11,12).
What are the key properties of tert-butyl N-(N-ethenyl-N'-methylcarbamimidoyl)-N-methylcarbamate?
tert-butyl N-(N-ethenyl-N'-methylcarbamimidoyl)-N-methylcarbamate has a molecular weight of 213.28 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(N-ethenyl-N'-methylcarbamimidoyl)-N-methylcarbamate is sourced from PubChem (CID 166715447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).