[1-[acetyl(methyl)amino]-2-methylpropan-2-yl] aminomethyl carbonate

C9H18N2O4 — CID 155065549

IUPAC[1-[acetyl(methyl)amino]-2-methylpropan-2-yl] aminomethyl carbonate
SMILESCC(=O)N(C)CC(C)(C)OC(=O)OCN
InChIInChI=1S/C9H18N2O4/c1-7(12)11(4)5-9(2,3)15-8(13)14-6-10/h5-6,10H2,1-4H3
InChIKeyHXEDKHFYSKXFQH-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.31
Rot. Bonds4

About [1-[acetyl(methyl)amino]-2-methylpropan-2-yl] aminomethyl carbonate

[1-[acetyl(methyl)amino]-2-methylpropan-2-yl] aminomethyl carbonate (PubChem CID 155065549) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is [1-[acetyl(methyl)amino]-2-methylpropan-2-yl] aminomethyl carbonate.

Molecular Properties

Compound Name[1-[acetyl(methyl)amino]-2-methylpropan-2-yl] aminomethyl carbonate
PubChem CID155065549
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name[1-[acetyl(methyl)amino]-2-methylpropan-2-yl] aminomethyl carbonate
SMILESCC(=O)N(C)CC(C)(C)OC(=O)OCN
InChIInChI=1S/C9H18N2O4/c1-7(12)11(4)5-9(2,3)15-8(13)14-6-10/h5-6,10H2,1-4H3
InChIKeyHXEDKHFYSKXFQH-UHFFFAOYSA-N
XLogP0.31
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[acetyl(methyl)amino]-2-methylpropan-2-yl] aminomethyl carbonate?
The IUPAC name of [1-[acetyl(methyl)amino]-2-methylpropan-2-yl] aminomethyl carbonate (CID 155065549) is [1-[acetyl(methyl)amino]-2-methylpropan-2-yl] aminomethyl carbonate.
What is the SMILES notation for [1-[acetyl(methyl)amino]-2-methylpropan-2-yl] aminomethyl carbonate?
The canonical SMILES for [1-[acetyl(methyl)amino]-2-methylpropan-2-yl] aminomethyl carbonate is CC(=O)N(C)CC(C)(C)OC(=O)OCN.
What is the InChIKey of [1-[acetyl(methyl)amino]-2-methylpropan-2-yl] aminomethyl carbonate?
The InChIKey is HXEDKHFYSKXFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-7(12)11(4)5-9(2,3)15-8(13)14-6-10/h5-6,10H2,1-4H3.
What are the key properties of [1-[acetyl(methyl)amino]-2-methylpropan-2-yl] aminomethyl carbonate?
[1-[acetyl(methyl)amino]-2-methylpropan-2-yl] aminomethyl carbonate has a molecular weight of 218.25 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[acetyl(methyl)amino]-2-methylpropan-2-yl] aminomethyl carbonate is sourced from PubChem (CID 155065549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).