methyl N,N-ditert-butylcarbamate

C10H21NO2 — CID 12567954

IUPACmethyl N,N-ditert-butylcarbamate
SMILESCOC(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-9(2,3)11(8(12)13-7)10(4,5)6/h1-7H3
InChIKeyKNYZBSWEEBAXIM-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.65
Rot. Bonds

About methyl N,N-ditert-butylcarbamate

methyl N,N-ditert-butylcarbamate (PubChem CID 12567954) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl N,N-ditert-butylcarbamate.

Molecular Properties

Compound Namemethyl N,N-ditert-butylcarbamate
PubChem CID12567954
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl N,N-ditert-butylcarbamate
SMILESCOC(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-9(2,3)11(8(12)13-7)10(4,5)6/h1-7H3
InChIKeyKNYZBSWEEBAXIM-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-(2-bromoethyl)-N-tert-butylcarbamate
CID 57482630
N,N-ditert-butyl-2,2-dimethylpropanamide
CID 58613636
methyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 79387762
[(E)-4-carbamoyloxybut-2-enyl] N,N-ditert-butylcarbamate
CID 162350227
methyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 142741327
methyl N-tert-butyl-N-(3-oxopropyl)carbamate
CID 175088328
tert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid
CID 89123802
methyl N-tert-butyl-N-(oxan-4-yl)carbamate
CID 23087104
methyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate
CID 145349487
methyl acetate;titanium
CID 87665287
dimethyl carbonate;ethane
CID 160632176
methyl 3-[tert-butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoate
CID 115174771

Frequently Asked Questions

What is the IUPAC name of methyl N,N-ditert-butylcarbamate?
The IUPAC name of methyl N,N-ditert-butylcarbamate (CID 12567954) is methyl N,N-ditert-butylcarbamate.
What is the SMILES notation for methyl N,N-ditert-butylcarbamate?
The canonical SMILES for methyl N,N-ditert-butylcarbamate is COC(=O)N(C(C)(C)C)C(C)(C)C.
What is the InChIKey of methyl N,N-ditert-butylcarbamate?
The InChIKey is KNYZBSWEEBAXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2,3)11(8(12)13-7)10(4,5)6/h1-7H3.
What are the key properties of methyl N,N-ditert-butylcarbamate?
methyl N,N-ditert-butylcarbamate has a molecular weight of 187.28 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-ditert-butylcarbamate is sourced from PubChem (CID 12567954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).