2,2-dimethylpropyl N-tert-butylcarbamate

C10H21NO2 — CID 11171443

IUPAC2,2-dimethylpropyl N-tert-butylcarbamate
SMILESCC(C)(C)COC(=O)NC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-9(2,3)7-13-8(12)11-10(4,5)6/h7H2,1-6H3,(H,11,12)
InChIKeyMBQPAQIGTHFCKE-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.56
Rot. Bonds1

About 2,2-dimethylpropyl N-tert-butylcarbamate

2,2-dimethylpropyl N-tert-butylcarbamate (PubChem CID 11171443) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-tert-butylcarbamate
PubChem CID11171443
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2,2-dimethylpropyl N-tert-butylcarbamate
SMILESCC(C)(C)COC(=O)NC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-9(2,3)7-13-8(12)11-10(4,5)6/h7H2,1-6H3,(H,11,12)
InChIKeyMBQPAQIGTHFCKE-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 139295027
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
(2-amino-2-cyanopropyl) N-tert-butylcarbamate
CID 177248875
2,2-dimethylpropoxycarbonylcarbamic acid
CID 141398884
2,2-dimethylpropyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate
CID 71672217
2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314
2,2-dimethylpropyl acetate
CID 13552
[(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate
CID 175162000
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 129320050
(3-amino-3-sulfanylidenepropyl) N-tert-butylcarbamate
CID 142744871
2-methoxypropyl N-tert-butylcarbamate
CID 174838814
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl N-tert-butylcarbamate?
The IUPAC name of 2,2-dimethylpropyl N-tert-butylcarbamate (CID 11171443) is 2,2-dimethylpropyl N-tert-butylcarbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-tert-butylcarbamate?
The canonical SMILES for 2,2-dimethylpropyl N-tert-butylcarbamate is CC(C)(C)COC(=O)NC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl N-tert-butylcarbamate?
The InChIKey is MBQPAQIGTHFCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2,3)7-13-8(12)11-10(4,5)6/h7H2,1-6H3,(H,11,12).
What are the key properties of 2,2-dimethylpropyl N-tert-butylcarbamate?
2,2-dimethylpropyl N-tert-butylcarbamate has a molecular weight of 187.28 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-tert-butylcarbamate is sourced from PubChem (CID 11171443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).