methyl N-(tert-butylamino)carbamate

C6H14N2O2 — CID 20626707

IUPACmethyl N-(tert-butylamino)carbamate
SMILESCOC(=O)NNC(C)(C)C
InChIInChI=1S/C6H14N2O2/c1-6(2,3)8-7-5(9)10-4/h8H,1-4H3,(H,7,9)
InChIKeyPDPAYIFQNKSEKK-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.65
Rot. Bonds1

About methyl N-(tert-butylamino)carbamate

methyl N-(tert-butylamino)carbamate (PubChem CID 20626707) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is methyl N-(tert-butylamino)carbamate.

Molecular Properties

Compound Namemethyl N-(tert-butylamino)carbamate
PubChem CID20626707
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Namemethyl N-(tert-butylamino)carbamate
SMILESCOC(=O)NNC(C)(C)C
InChIInChI=1S/C6H14N2O2/c1-6(2,3)8-7-5(9)10-4/h8H,1-4H3,(H,7,9)
InChIKeyPDPAYIFQNKSEKK-UHFFFAOYSA-N
XLogP0.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl N-(tert-butylamino)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

propyl N-(tert-butylamino)carbamate
CID 150814794
N'-tert-butylpropanehydrazide
CID 88905686
methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate
CID 2165580
methane;methyl N-(methylamino)carbamate
CID 157051214
methyl N-hydrazinylcarbamate
CID 90211551
methyl N-hydrazinylcarbamate;hydrate
CID 174928646
tert-butyl N-(2-cyanopropan-2-ylamino)carbamate
CID 45091909
methyl N-[[1-(2-bromophenyl)-2-methylpropan-2-yl]amino]carbamate
CID 174730067
methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
CID 88863473
methyl N-(cyclopropylcarbamoylamino)carbamate
CID 131203587
methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate
CID 115267316
methyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 12696477

Frequently Asked Questions

What is the IUPAC name of methyl N-(tert-butylamino)carbamate?
The IUPAC name of methyl N-(tert-butylamino)carbamate (CID 20626707) is methyl N-(tert-butylamino)carbamate.
What is the SMILES notation for methyl N-(tert-butylamino)carbamate?
The canonical SMILES for methyl N-(tert-butylamino)carbamate is COC(=O)NNC(C)(C)C.
What is the InChIKey of methyl N-(tert-butylamino)carbamate?
The InChIKey is PDPAYIFQNKSEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-6(2,3)8-7-5(9)10-4/h8H,1-4H3,(H,7,9).
What are the key properties of methyl N-(tert-butylamino)carbamate?
methyl N-(tert-butylamino)carbamate has a molecular weight of 146.19 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(tert-butylamino)carbamate is sourced from PubChem (CID 20626707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).