3-methylbutyl N,N-dimethylcarbamate

C8H17NO2 — CID 20741840

IUPAC3-methylbutyl N,N-dimethylcarbamate
SMILESCC(C)CCOC(=O)N(C)C
InChIInChI=1S/C8H17NO2/c1-7(2)5-6-11-8(10)9(3)4/h7H,5-6H2,1-4H3
InChIKeyNDIBHZABGFRGQJ-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.73
Rot. Bonds3

About 3-methylbutyl N,N-dimethylcarbamate

3-methylbutyl N,N-dimethylcarbamate (PubChem CID 20741840) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-methylbutyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name3-methylbutyl N,N-dimethylcarbamate
PubChem CID20741840
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-methylbutyl N,N-dimethylcarbamate
SMILESCC(C)CCOC(=O)N(C)C
InChIInChI=1S/C8H17NO2/c1-7(2)5-6-11-8(10)9(3)4/h7H,5-6H2,1-4H3
InChIKeyNDIBHZABGFRGQJ-UHFFFAOYSA-N
XLogP1.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl N,N-dimethylcarbamate?
The IUPAC name of 3-methylbutyl N,N-dimethylcarbamate (CID 20741840) is 3-methylbutyl N,N-dimethylcarbamate.
What is the SMILES notation for 3-methylbutyl N,N-dimethylcarbamate?
The canonical SMILES for 3-methylbutyl N,N-dimethylcarbamate is CC(C)CCOC(=O)N(C)C.
What is the InChIKey of 3-methylbutyl N,N-dimethylcarbamate?
The InChIKey is NDIBHZABGFRGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(2)5-6-11-8(10)9(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 3-methylbutyl N,N-dimethylcarbamate?
3-methylbutyl N,N-dimethylcarbamate has a molecular weight of 159.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl N,N-dimethylcarbamate is sourced from PubChem (CID 20741840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).