3-methylbutan-2-yl N,N-dibutylcarbamate

C14H29NO2 — CID 58096956

IUPAC3-methylbutan-2-yl N,N-dibutylcarbamate
SMILESCCCCN(CCCC)C(=O)OC(C)C(C)C
InChIInChI=1S/C14H29NO2/c1-6-8-10-15(11-9-7-2)14(16)17-13(5)12(3)4/h12-13H,6-11H2,1-5H3
InChIKeyMFMZGNJVIFTRBW-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.07
Rot. Bonds8

About 3-methylbutan-2-yl N,N-dibutylcarbamate

3-methylbutan-2-yl N,N-dibutylcarbamate (PubChem CID 58096956) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-methylbutan-2-yl N,N-dibutylcarbamate.

Molecular Properties

Compound Name3-methylbutan-2-yl N,N-dibutylcarbamate
PubChem CID58096956
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-methylbutan-2-yl N,N-dibutylcarbamate
SMILESCCCCN(CCCC)C(=O)OC(C)C(C)C
InChIInChI=1S/C14H29NO2/c1-6-8-10-15(11-9-7-2)14(16)17-13(5)12(3)4/h12-13H,6-11H2,1-5H3
InChIKeyMFMZGNJVIFTRBW-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methylbutan-2-yl N,N-dibutylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-yl N,N-dibutylcarbamate?
The IUPAC name of 3-methylbutan-2-yl N,N-dibutylcarbamate (CID 58096956) is 3-methylbutan-2-yl N,N-dibutylcarbamate.
What is the SMILES notation for 3-methylbutan-2-yl N,N-dibutylcarbamate?
The canonical SMILES for 3-methylbutan-2-yl N,N-dibutylcarbamate is CCCCN(CCCC)C(=O)OC(C)C(C)C.
What is the InChIKey of 3-methylbutan-2-yl N,N-dibutylcarbamate?
The InChIKey is MFMZGNJVIFTRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-6-8-10-15(11-9-7-2)14(16)17-13(5)12(3)4/h12-13H,6-11H2,1-5H3.
What are the key properties of 3-methylbutan-2-yl N,N-dibutylcarbamate?
3-methylbutan-2-yl N,N-dibutylcarbamate has a molecular weight of 243.39 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-yl N,N-dibutylcarbamate is sourced from PubChem (CID 58096956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).