3-methylbutyl N-butyl-N-ethylcarbamate

C12H25NO2 — CID 89281450

IUPAC3-methylbutyl N-butyl-N-ethylcarbamate
SMILESCCCCN(CC)C(=O)OCCC(C)C
InChIInChI=1S/C12H25NO2/c1-5-7-9-13(6-2)12(14)15-10-8-11(3)4/h11H,5-10H2,1-4H3
InChIKeyLOIAXYIHDYWWKS-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.29
Rot. Bonds7

About 3-methylbutyl N-butyl-N-ethylcarbamate

3-methylbutyl N-butyl-N-ethylcarbamate (PubChem CID 89281450) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-methylbutyl N-butyl-N-ethylcarbamate.

Molecular Properties

Compound Name3-methylbutyl N-butyl-N-ethylcarbamate
PubChem CID89281450
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-methylbutyl N-butyl-N-ethylcarbamate
SMILESCCCCN(CC)C(=O)OCCC(C)C
InChIInChI=1S/C12H25NO2/c1-5-7-9-13(6-2)12(14)15-10-8-11(3)4/h11H,5-10H2,1-4H3
InChIKeyLOIAXYIHDYWWKS-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl N-butyl-N-ethylcarbamate?
The IUPAC name of 3-methylbutyl N-butyl-N-ethylcarbamate (CID 89281450) is 3-methylbutyl N-butyl-N-ethylcarbamate.
What is the SMILES notation for 3-methylbutyl N-butyl-N-ethylcarbamate?
The canonical SMILES for 3-methylbutyl N-butyl-N-ethylcarbamate is CCCCN(CC)C(=O)OCCC(C)C.
What is the InChIKey of 3-methylbutyl N-butyl-N-ethylcarbamate?
The InChIKey is LOIAXYIHDYWWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-7-9-13(6-2)12(14)15-10-8-11(3)4/h11H,5-10H2,1-4H3.
What are the key properties of 3-methylbutyl N-butyl-N-ethylcarbamate?
3-methylbutyl N-butyl-N-ethylcarbamate has a molecular weight of 215.34 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl N-butyl-N-ethylcarbamate is sourced from PubChem (CID 89281450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).