tert-butyl N-methyl-N-(2-methylpropyl)carbamate

C10H21NO2 — CID 11095337

IUPACtert-butyl N-methyl-N-(2-methylpropyl)carbamate
SMILESCC(C)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)7-11(6)9(12)13-10(3,4)5/h8H,7H2,1-6H3
InChIKeyGHWBPLUHHLQYPX-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.51
Rot. Bonds2

About tert-butyl N-methyl-N-(2-methylpropyl)carbamate

tert-butyl N-methyl-N-(2-methylpropyl)carbamate (PubChem CID 11095337) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(2-methylpropyl)carbamate
PubChem CID11095337
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nametert-butyl N-methyl-N-(2-methylpropyl)carbamate
SMILESCC(C)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)7-11(6)9(12)13-10(3,4)5/h8H,7H2,1-6H3
InChIKeyGHWBPLUHHLQYPX-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

N-Boc-pyrrolidine
CID 643455
1-(tert-Butoxycarbonyl)azetidine
CID 11205910
tert-Butyl 3-(iodomethyl)azetidine-1-carboxylate
CID 53249943
1,1-Dimethylethyl N-methyl-N-(2-oxopropyl)carbamate
CID 12121517
1-Boc-3-fluoro-3-methylazetidine
CID 55271007
tert-butyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate
CID 14799455
tert-butyl N-(2-cyanoethyl)-N-methylcarbamate
CID 20155843
N-Boc-N-methyl-4-amino-2-butanone
CID 23589007
tert-butyl N-(3-bromopropyl)-N-methylcarbamate
CID 46780899
tert-butyl N-(cyanomethyl)-N-ethylcarbamate
CID 47003388
tert-butyl N-(3-amino-2-methylpropyl)-N-methylcarbamate
CID 54592842
tert-butyl N-(2-isocyanoethyl)-N-methylcarbamate
CID 82655310

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(2-methylpropyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(2-methylpropyl)carbamate (CID 11095337) is tert-butyl N-methyl-N-(2-methylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(2-methylpropyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(2-methylpropyl)carbamate is CC(C)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(2-methylpropyl)carbamate?
The InChIKey is GHWBPLUHHLQYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)7-11(6)9(12)13-10(3,4)5/h8H,7H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-(2-methylpropyl)carbamate?
tert-butyl N-methyl-N-(2-methylpropyl)carbamate has a molecular weight of 187.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(2-methylpropyl)carbamate is sourced from PubChem (CID 11095337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).