3-methylbutan-2-yl N,N-diethylcarbamate

C10H21NO2 — CID 58096859

IUPAC3-methylbutan-2-yl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC(C)C(C)C
InChIInChI=1S/C10H21NO2/c1-6-11(7-2)10(12)13-9(5)8(3)4/h8-9H,6-7H2,1-5H3
InChIKeyHBAMHGIUPPKABN-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.51
Rot. Bonds4

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

3-methylbutan-2-yl N,N-diethylcarbamate (PubChem CID 58096859) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-methylbutan-2-yl N,N-diethylcarbamate.

Molecular Properties

Compound Name3-methylbutan-2-yl N,N-diethylcarbamate
PubChem CID58096859
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-methylbutan-2-yl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC(C)C(C)C
InChIInChI=1S/C10H21NO2/c1-6-11(7-2)10(12)13-9(5)8(3)4/h8-9H,6-7H2,1-5H3
InChIKeyHBAMHGIUPPKABN-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.51
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-diethylcarbamate?
The IUPAC name of 3-methylbutan-2-yl N,N-diethylcarbamate (CID 58096859) is 3-methylbutan-2-yl N,N-diethylcarbamate.
What is the SMILES notation for 3-methylbutan-2-yl N,N-diethylcarbamate?
The canonical SMILES for 3-methylbutan-2-yl N,N-diethylcarbamate is CCN(CC)C(=O)OC(C)C(C)C.
What is the InChIKey of 3-methylbutan-2-yl N,N-diethylcarbamate?
The InChIKey is HBAMHGIUPPKABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-11(7-2)10(12)13-9(5)8(3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of 3-methylbutan-2-yl N,N-diethylcarbamate?
3-methylbutan-2-yl N,N-diethylcarbamate has a molecular weight of 187.28 g/mol, XLogP of 2.51, 4 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-diethylcarbamate is sourced from PubChem (CID 58096859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).