propan-2-yl N-(propan-2-yloxymethylimino)carbamate

C8H16N2O3 — CID 174008951

IUPACpropan-2-yl N-(propan-2-yloxymethylimino)carbamate
SMILESCC(C)OCN=NC(=O)OC(C)C
InChIInChI=1S/C8H16N2O3/c1-6(2)12-5-9-10-8(11)13-7(3)4/h6-7H,5H2,1-4H3
InChIKeySJNRPGXKEMDFEN-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.37
Rot. Bonds4

About propan-2-yl N-(propan-2-yloxymethylimino)carbamate

propan-2-yl N-(propan-2-yloxymethylimino)carbamate (PubChem CID 174008951) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is propan-2-yl N-(propan-2-yloxymethylimino)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(propan-2-yloxymethylimino)carbamate
PubChem CID174008951
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namepropan-2-yl N-(propan-2-yloxymethylimino)carbamate
SMILESCC(C)OCN=NC(=O)OC(C)C
InChIInChI=1S/C8H16N2O3/c1-6(2)12-5-9-10-8(11)13-7(3)4/h6-7H,5H2,1-4H3
InChIKeySJNRPGXKEMDFEN-UHFFFAOYSA-N
XLogP2.37
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N-propan-2-yloxycarbonyliminocarbamate;hydrobromide
CID 174566980
benzene;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate
CID 174619153
propan-2-yloxycarbonyliminocarbamoyl N-ethylmethanimidate
CID 58758918
propan-2-yl N-pentoxycarbonyliminocarbamate
CID 140646431
propane;propan-2-yl acetate
CID 23325886
propan-2-yl 2-(fluoroamino)acetate
CID 89108971
3-methylbutan-2-yl propan-2-yl carbonate
CID 23388328
[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate
CID 118177700
propan-2-yl carbonobromidate
CID 54038908
2-(hydroperoxymethoxy)propane
CID 171037586
propan-2-yl acetate;hydrochloride
CID 87336432
propan-2-yl carbonochloridate
CID 7917

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(propan-2-yloxymethylimino)carbamate?
The IUPAC name of propan-2-yl N-(propan-2-yloxymethylimino)carbamate (CID 174008951) is propan-2-yl N-(propan-2-yloxymethylimino)carbamate.
What is the SMILES notation for propan-2-yl N-(propan-2-yloxymethylimino)carbamate?
The canonical SMILES for propan-2-yl N-(propan-2-yloxymethylimino)carbamate is CC(C)OCN=NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(propan-2-yloxymethylimino)carbamate?
The InChIKey is SJNRPGXKEMDFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(2)12-5-9-10-8(11)13-7(3)4/h6-7H,5H2,1-4H3.
What are the key properties of propan-2-yl N-(propan-2-yloxymethylimino)carbamate?
propan-2-yl N-(propan-2-yloxymethylimino)carbamate has a molecular weight of 188.23 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(propan-2-yloxymethylimino)carbamate is sourced from PubChem (CID 174008951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).