3-methylbutan-2-yl N,N-dipropylcarbamate

C12H25NO2 — CID 58097019

IUPAC3-methylbutan-2-yl N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OC(C)C(C)C
InChIInChI=1S/C12H25NO2/c1-6-8-13(9-7-2)12(14)15-11(5)10(3)4/h10-11H,6-9H2,1-5H3
InChIKeyNMVKYVSJXYZEHV-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.29
Rot. Bonds6

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

3-methylbutan-2-yl N,N-dipropylcarbamate (PubChem CID 58097019) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-methylbutan-2-yl N,N-dipropylcarbamate.

Molecular Properties

Compound Name3-methylbutan-2-yl N,N-dipropylcarbamate
PubChem CID58097019
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-methylbutan-2-yl N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OC(C)C(C)C
InChIInChI=1S/C12H25NO2/c1-6-8-13(9-7-2)12(14)15-11(5)10(3)4/h10-11H,6-9H2,1-5H3
InChIKeyNMVKYVSJXYZEHV-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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-methylbutan-2-yl N,N-dipropylcarbamate?
The IUPAC name of 3-methylbutan-2-yl N,N-dipropylcarbamate (CID 58097019) is 3-methylbutan-2-yl N,N-dipropylcarbamate.
What is the SMILES notation for 3-methylbutan-2-yl N,N-dipropylcarbamate?
The canonical SMILES for 3-methylbutan-2-yl N,N-dipropylcarbamate is CCCN(CCC)C(=O)OC(C)C(C)C.
What is the InChIKey of 3-methylbutan-2-yl N,N-dipropylcarbamate?
The InChIKey is NMVKYVSJXYZEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-8-13(9-7-2)12(14)15-11(5)10(3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of 3-methylbutan-2-yl N,N-dipropylcarbamate?
3-methylbutan-2-yl N,N-dipropylcarbamate has a molecular weight of 215.34 g/mol, XLogP of 3.29, 6 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-dipropylcarbamate is sourced from PubChem (CID 58097019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).