methyl N-[3-(dimethylamino)-2,2-dimethylpropyl]-N-methylcarbamate

C10H22N2O2 — CID 20649747

IUPACmethyl N-[3-(dimethylamino)-2,2-dimethylpropyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CC(C)(C)CN(C)C
InChIInChI=1S/C10H22N2O2/c1-10(2,7-11(3)4)8-12(5)9(13)14-6/h7-8H2,1-6H3
InChIKeyCMYJEFMVKOOCSA-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.27
Rot. Bonds4

About methyl N-[3-(dimethylamino)-2,2-dimethylpropyl]-N-methylcarbamate

methyl N-[3-(dimethylamino)-2,2-dimethylpropyl]-N-methylcarbamate (PubChem CID 20649747) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is methyl N-[3-(dimethylamino)-2,2-dimethylpropyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[3-(dimethylamino)-2,2-dimethylpropyl]-N-methylcarbamate
PubChem CID20649747
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Namemethyl N-[3-(dimethylamino)-2,2-dimethylpropyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CC(C)(C)CN(C)C
InChIInChI=1S/C10H22N2O2/c1-10(2,7-11(3)4)8-12(5)9(13)14-6/h7-8H2,1-6H3
InChIKeyCMYJEFMVKOOCSA-UHFFFAOYSA-N
XLogP1.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(dimethylamino)-2,2-dimethylpropyl]-N-methylcarbamate?
The IUPAC name of methyl N-[3-(dimethylamino)-2,2-dimethylpropyl]-N-methylcarbamate (CID 20649747) is methyl N-[3-(dimethylamino)-2,2-dimethylpropyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[3-(dimethylamino)-2,2-dimethylpropyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[3-(dimethylamino)-2,2-dimethylpropyl]-N-methylcarbamate is COC(=O)N(C)CC(C)(C)CN(C)C.
What is the InChIKey of methyl N-[3-(dimethylamino)-2,2-dimethylpropyl]-N-methylcarbamate?
The InChIKey is CMYJEFMVKOOCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(2,7-11(3)4)8-12(5)9(13)14-6/h7-8H2,1-6H3.
What are the key properties of methyl N-[3-(dimethylamino)-2,2-dimethylpropyl]-N-methylcarbamate?
methyl N-[3-(dimethylamino)-2,2-dimethylpropyl]-N-methylcarbamate has a molecular weight of 202.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(dimethylamino)-2,2-dimethylpropyl]-N-methylcarbamate is sourced from PubChem (CID 20649747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).