3-methylbutyl N-butyl-N-propylcarbamate

C13H27NO2 — CID 89281602

IUPAC3-methylbutyl N-butyl-N-propylcarbamate
SMILESCCCCN(CCC)C(=O)OCCC(C)C
InChIInChI=1S/C13H27NO2/c1-5-7-10-14(9-6-2)13(15)16-11-8-12(3)4/h12H,5-11H2,1-4H3
InChIKeyJMHWXQHWIYFWTO-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.68
Rot. Bonds8

About 3-methylbutyl N-butyl-N-propylcarbamate

3-methylbutyl N-butyl-N-propylcarbamate (PubChem CID 89281602) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-methylbutyl N-butyl-N-propylcarbamate.

Molecular Properties

Compound Name3-methylbutyl N-butyl-N-propylcarbamate
PubChem CID89281602
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-methylbutyl N-butyl-N-propylcarbamate
SMILESCCCCN(CCC)C(=O)OCCC(C)C
InChIInChI=1S/C13H27NO2/c1-5-7-10-14(9-6-2)13(15)16-11-8-12(3)4/h12H,5-11H2,1-4H3
InChIKeyJMHWXQHWIYFWTO-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.68
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-propylcarbamate?
The IUPAC name of 3-methylbutyl N-butyl-N-propylcarbamate (CID 89281602) is 3-methylbutyl N-butyl-N-propylcarbamate.
What is the SMILES notation for 3-methylbutyl N-butyl-N-propylcarbamate?
The canonical SMILES for 3-methylbutyl N-butyl-N-propylcarbamate is CCCCN(CCC)C(=O)OCCC(C)C.
What is the InChIKey of 3-methylbutyl N-butyl-N-propylcarbamate?
The InChIKey is JMHWXQHWIYFWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-7-10-14(9-6-2)13(15)16-11-8-12(3)4/h12H,5-11H2,1-4H3.
What are the key properties of 3-methylbutyl N-butyl-N-propylcarbamate?
3-methylbutyl N-butyl-N-propylcarbamate has a molecular weight of 229.36 g/mol, XLogP of 3.68, 8 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-propylcarbamate is sourced from PubChem (CID 89281602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).