3-methylbutan-2-yl N,N-bis(2-methylpropyl)carbamate

C14H29NO2 — CID 58096576

IUPAC3-methylbutan-2-yl N,N-bis(2-methylpropyl)carbamate
SMILESCC(C)CN(CC(C)C)C(=O)OC(C)C(C)C
InChIInChI=1S/C14H29NO2/c1-10(2)8-15(9-11(3)4)14(16)17-13(7)12(5)6/h10-13H,8-9H2,1-7H3
InChIKeyAQASGRUWWOGDAW-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.78
Rot. Bonds6

About 3-methylbutan-2-yl N,N-bis(2-methylpropyl)carbamate

3-methylbutan-2-yl N,N-bis(2-methylpropyl)carbamate (PubChem CID 58096576) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-methylbutan-2-yl N,N-bis(2-methylpropyl)carbamate.

Molecular Properties

Compound Name3-methylbutan-2-yl N,N-bis(2-methylpropyl)carbamate
PubChem CID58096576
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-methylbutan-2-yl N,N-bis(2-methylpropyl)carbamate
SMILESCC(C)CN(CC(C)C)C(=O)OC(C)C(C)C
InChIInChI=1S/C14H29NO2/c1-10(2)8-15(9-11(3)4)14(16)17-13(7)12(5)6/h10-13H,8-9H2,1-7H3
InChIKeyAQASGRUWWOGDAW-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl-N,N-di-n-butyl carbamate
CID 16674
Carbamic acid, dipropyl-, ethyl ester
CID 23416
2-Methylpropyl diethylcarbamate
CID 13314072
2-Ethylbutyl diethylcarbamate
CID 13433127
Isobutylcarbamate, N,N-diisopropyl
CID 52921001
Propan-2-yl diethylcarbamate
CID 231820
tert-butyl N-methyl-N-(2-methylpropyl)carbamate
CID 11095337
propan-2-yl N,N-dibutylcarbamate
CID 13751145
N-butylethylurethane
CID 21523735
Isopropyl dipropylcarbamate
CID 45119301
propan-2-yl N-methyl-N-propylcarbamate
CID 58662218
propan-2-yl N-butyl-N-methylcarbamate
CID 88569696

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-yl N,N-bis(2-methylpropyl)carbamate?
The IUPAC name of 3-methylbutan-2-yl N,N-bis(2-methylpropyl)carbamate (CID 58096576) is 3-methylbutan-2-yl N,N-bis(2-methylpropyl)carbamate.
What is the SMILES notation for 3-methylbutan-2-yl N,N-bis(2-methylpropyl)carbamate?
The canonical SMILES for 3-methylbutan-2-yl N,N-bis(2-methylpropyl)carbamate is CC(C)CN(CC(C)C)C(=O)OC(C)C(C)C.
What is the InChIKey of 3-methylbutan-2-yl N,N-bis(2-methylpropyl)carbamate?
The InChIKey is AQASGRUWWOGDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-10(2)8-15(9-11(3)4)14(16)17-13(7)12(5)6/h10-13H,8-9H2,1-7H3.
What are the key properties of 3-methylbutan-2-yl N,N-bis(2-methylpropyl)carbamate?
3-methylbutan-2-yl N,N-bis(2-methylpropyl)carbamate has a molecular weight of 243.39 g/mol, XLogP of 3.78, 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-bis(2-methylpropyl)carbamate is sourced from PubChem (CID 58096576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).