propyl N-butyl-N-(2,2-dimethylpropyl)carbamate

C13H27NO2 — CID 89281489

IUPACpropyl N-butyl-N-(2,2-dimethylpropyl)carbamate
SMILESCCCCN(CC(C)(C)C)C(=O)OCCC
InChIInChI=1S/C13H27NO2/c1-6-8-9-14(11-13(3,4)5)12(15)16-10-7-2/h6-11H2,1-5H3
InChIKeyUGLVLMWCYJCKQI-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.68
Rot. Bonds6

About propyl N-butyl-N-(2,2-dimethylpropyl)carbamate

propyl N-butyl-N-(2,2-dimethylpropyl)carbamate (PubChem CID 89281489) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is propyl N-butyl-N-(2,2-dimethylpropyl)carbamate.

Molecular Properties

Compound Namepropyl N-butyl-N-(2,2-dimethylpropyl)carbamate
PubChem CID89281489
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Namepropyl N-butyl-N-(2,2-dimethylpropyl)carbamate
SMILESCCCCN(CC(C)(C)C)C(=O)OCCC
InChIInChI=1S/C13H27NO2/c1-6-8-9-14(11-13(3,4)5)12(15)16-10-7-2/h6-11H2,1-5H3
InChIKeyUGLVLMWCYJCKQI-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

ethyl N-butyl-N-(2,2-dimethylpropyl)carbamate
CID 89281494
propyl N,N-diheptylcarbamate
CID 168918832
octyl N,N-di(nonyl)carbamate
CID 168918776
octyl N,N-di(undecyl)carbamate
CID 168918683
2-(dibutylcarbamoyloxy)ethyl-triethylazanium
CID 24833385
O-propyl N-butyl-N-ethylcarbamothioate
CID 19870866
2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate
CID 57213221
ethyl N,N-di(heptadecyl)carbamate
CID 70629745
ethyl N,N-didodecylcarbamate
CID 70629624
ethyl N-[6-[ethoxycarbonyl(octyl)amino]hexyl]-N-octylcarbamate
CID 23053337
dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate
CID 91718812
N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide
CID 58848995

Frequently Asked Questions

What is the IUPAC name of propyl N-butyl-N-(2,2-dimethylpropyl)carbamate?
The IUPAC name of propyl N-butyl-N-(2,2-dimethylpropyl)carbamate (CID 89281489) is propyl N-butyl-N-(2,2-dimethylpropyl)carbamate.
What is the SMILES notation for propyl N-butyl-N-(2,2-dimethylpropyl)carbamate?
The canonical SMILES for propyl N-butyl-N-(2,2-dimethylpropyl)carbamate is CCCCN(CC(C)(C)C)C(=O)OCCC.
What is the InChIKey of propyl N-butyl-N-(2,2-dimethylpropyl)carbamate?
The InChIKey is UGLVLMWCYJCKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-8-9-14(11-13(3,4)5)12(15)16-10-7-2/h6-11H2,1-5H3.
What are the key properties of propyl N-butyl-N-(2,2-dimethylpropyl)carbamate?
propyl N-butyl-N-(2,2-dimethylpropyl)carbamate has a molecular weight of 229.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-butyl-N-(2,2-dimethylpropyl)carbamate is sourced from PubChem (CID 89281489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).