2-methylbutyl N,N-bis(2-methylpropyl)carbamate

C14H29NO2 — CID 127538253

IUPAC2-methylbutyl N,N-bis(2-methylpropyl)carbamate
SMILESCCC(C)COC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C14H29NO2/c1-7-13(6)10-17-14(16)15(8-11(2)3)9-12(4)5/h11-13H,7-10H2,1-6H3
InChIKeyWYLNKOOFEBNKQL-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.78
Rot. Bonds7

About 2-methylbutyl N,N-bis(2-methylpropyl)carbamate

2-methylbutyl N,N-bis(2-methylpropyl)carbamate (PubChem CID 127538253) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-methylbutyl N,N-bis(2-methylpropyl)carbamate.

Molecular Properties

Compound Name2-methylbutyl N,N-bis(2-methylpropyl)carbamate
PubChem CID127538253
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-methylbutyl N,N-bis(2-methylpropyl)carbamate
SMILESCCC(C)COC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C14H29NO2/c1-7-13(6)10-17-14(16)15(8-11(2)3)9-12(4)5/h11-13H,7-10H2,1-6H3
InChIKeyWYLNKOOFEBNKQL-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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
Pyrrolidine, N-isoBOC
CID 259455
2-fluoroethyl N,N-dipropylcarbamate
CID 129671671
Butyl diethylcarbamate
CID 10241277
Carbamic acid, dibutyl-, butyl ester
CID 11775995
N-butylethylurethane
CID 21523735
Isopropyl dipropylcarbamate
CID 45119301
butyl N-ethyl-N-methylcarbamate
CID 57290167

Frequently Asked Questions

What is the IUPAC name of 2-methylbutyl N,N-bis(2-methylpropyl)carbamate?
The IUPAC name of 2-methylbutyl N,N-bis(2-methylpropyl)carbamate (CID 127538253) is 2-methylbutyl N,N-bis(2-methylpropyl)carbamate.
What is the SMILES notation for 2-methylbutyl N,N-bis(2-methylpropyl)carbamate?
The canonical SMILES for 2-methylbutyl N,N-bis(2-methylpropyl)carbamate is CCC(C)COC(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 2-methylbutyl N,N-bis(2-methylpropyl)carbamate?
The InChIKey is WYLNKOOFEBNKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-7-13(6)10-17-14(16)15(8-11(2)3)9-12(4)5/h11-13H,7-10H2,1-6H3.
What are the key properties of 2-methylbutyl N,N-bis(2-methylpropyl)carbamate?
2-methylbutyl N,N-bis(2-methylpropyl)carbamate has a molecular weight of 243.39 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutyl N,N-bis(2-methylpropyl)carbamate is sourced from PubChem (CID 127538253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).