ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate

C10H21NO2 — CID 162784649

IUPACethyl N-(3,3-dimethylbutyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)CCC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-6-13-9(12)11(5)8-7-10(2,3)4/h6-8H2,1-5H3
InChIKeyZUEGHVYVCOUHIU-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.51
Rot. Bonds3

About ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate

ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate (PubChem CID 162784649) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-(3,3-dimethylbutyl)-N-methylcarbamate
PubChem CID162784649
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethyl N-(3,3-dimethylbutyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)CCC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-6-13-9(12)11(5)8-7-10(2,3)4/h6-8H2,1-5H3
InChIKeyZUEGHVYVCOUHIU-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486
ethyl N-(2-chloroethyl)-N-methylcarbamate
CID 12882312
ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid
CID 87130668
N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane
CID 176686856
ethyl N-methyl-N-octylcarbamate
CID 15790108
ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate
CID 90725170
ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate
CID 170571033
butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
CID 153346338
N'-(3,3-dimethylbutyl)-N'-methyloxamide
CID 115192175
ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
CID 168940776
ethyl N-methyl-N-(7-oxooctyl)carbamate
CID 146646007
N-(3,3-dimethylbutyl)-N-methyl-2-(methylamino)acetamide
CID 115152053

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate?
The IUPAC name of ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate (CID 162784649) is ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate.
What is the SMILES notation for ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate?
The canonical SMILES for ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate is CCOC(=O)N(C)CCC(C)(C)C.
What is the InChIKey of ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate?
The InChIKey is ZUEGHVYVCOUHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-13-9(12)11(5)8-7-10(2,3)4/h6-8H2,1-5H3.
What are the key properties of ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate?
ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate has a molecular weight of 187.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate is sourced from PubChem (CID 162784649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).