tert-butyl N-methyl-N-[2-(methylaminocarbamoylamino)ethyl]carbamate

C10H22N4O3 — CID 142912677

IUPACtert-butyl N-methyl-N-[2-(methylaminocarbamoylamino)ethyl]carbamate
SMILESCNNC(=O)NCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22N4O3/c1-10(2,3)17-9(16)14(5)7-6-12-8(15)13-11-4/h11H,6-7H2,1-5H3,(H2,12,13,15)
InChIKeyCTUYDBOODRNFJI-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.29
Rot. Bonds4

About tert-butyl N-methyl-N-[2-(methylaminocarbamoylamino)ethyl]carbamate

tert-butyl N-methyl-N-[2-(methylaminocarbamoylamino)ethyl]carbamate (PubChem CID 142912677) has the molecular formula C10H22N4O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(methylaminocarbamoylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(methylaminocarbamoylamino)ethyl]carbamate
PubChem CID142912677
Molecular FormulaC10H22N4O3
Molecular Weight246.31 g/mol
Exact Mass246.17
IUPAC Nametert-butyl N-methyl-N-[2-(methylaminocarbamoylamino)ethyl]carbamate
SMILESCNNC(=O)NCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22N4O3/c1-10(2,3)17-9(16)14(5)7-6-12-8(15)13-11-4/h11H,6-7H2,1-5H3,(H2,12,13,15)
InChIKeyCTUYDBOODRNFJI-UHFFFAOYSA-N
XLogP0.29
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 86615121
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CID 89066320
tert-butyl N-[2-[(4-fluorophenyl)methylcarbamoylamino]ethyl]-N-methylcarbamate
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tert-butyl N-[2-(4,4-dichlorobut-3-enoylamino)ethyl]-N-methylcarbamate
CID 167955140
2-methylpropyl (3S)-3-(methylamino)-4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]-4-oxobutanoate
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tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
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2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-[2-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylcarbamate;hydroiodide
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tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
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tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
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tert-butyl N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-N-methylcarbamate
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tert-butyl N-[2-[[N-[2-(tert-butylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(methylaminocarbamoylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(methylaminocarbamoylamino)ethyl]carbamate (CID 142912677) is tert-butyl N-methyl-N-[2-(methylaminocarbamoylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(methylaminocarbamoylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(methylaminocarbamoylamino)ethyl]carbamate is CNNC(=O)NCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-(methylaminocarbamoylamino)ethyl]carbamate?
The InChIKey is CTUYDBOODRNFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3/c1-10(2,3)17-9(16)14(5)7-6-12-8(15)13-11-4/h11H,6-7H2,1-5H3,(H2,12,13,15).
What are the key properties of tert-butyl N-methyl-N-[2-(methylaminocarbamoylamino)ethyl]carbamate?
tert-butyl N-methyl-N-[2-(methylaminocarbamoylamino)ethyl]carbamate has a molecular weight of 246.31 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(methylaminocarbamoylamino)ethyl]carbamate is sourced from PubChem (CID 142912677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).