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

Analyze methyl N,N-ditert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).