propan-2-yl N-propan-2-yloxycarbonyliminocarbamate;hydrobromide

C8H15BrN2O4 — CID 174566980

IUPACpropan-2-yl N-propan-2-yloxycarbonyliminocarbamate;hydrobromide
SMILESBr.CC(C)OC(=O)N=NC(=O)OC(C)C
InChIInChI=1S/C8H14N2O4.BrH/c1-5(2)13-7(11)9-10-8(12)14-6(3)4;/h5-6H,1-4H3;1H
InChIKeyOCAZURVYEFJLHS-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.11
Rot. Bonds2

About propan-2-yl N-propan-2-yloxycarbonyliminocarbamate;hydrobromide

propan-2-yl N-propan-2-yloxycarbonyliminocarbamate;hydrobromide (PubChem CID 174566980) has the molecular formula C8H15BrN2O4 and a molecular weight of 283.12 g/mol. Its IUPAC name is propan-2-yl N-propan-2-yloxycarbonyliminocarbamate;hydrobromide.

Molecular Properties

Compound Namepropan-2-yl N-propan-2-yloxycarbonyliminocarbamate;hydrobromide
PubChem CID174566980
Molecular FormulaC8H15BrN2O4
Molecular Weight283.12 g/mol
Exact Mass282.02
IUPAC Namepropan-2-yl N-propan-2-yloxycarbonyliminocarbamate;hydrobromide
SMILESBr.CC(C)OC(=O)N=NC(=O)OC(C)C
InChIInChI=1S/C8H14N2O4.BrH/c1-5(2)13-7(11)9-10-8(12)14-6(3)4;/h5-6H,1-4H3;1H
InChIKeyOCAZURVYEFJLHS-UHFFFAOYSA-N
XLogP3.11
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.11
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'}

Analyze propan-2-yl N-propan-2-yloxycarbonyliminocarbamate;hydrobromide 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

benzene;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate
CID 174619153
propan-2-yloxycarbonyliminocarbamoyl N-ethylmethanimidate
CID 58758918
propan-2-yl N-(propan-2-yloxymethylimino)carbamate
CID 174008951
propan-2-yl N-pentoxycarbonyliminocarbamate
CID 140646431
[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate
CID 118177700
3-methylbutan-2-yl propan-2-yl carbonate
CID 23388328
propan-2-yl carbonobromidate
CID 54038908
propan-2-yl carbonochloridate
CID 7917
propan-2-yl acetate;hydrochloride
CID 87336432
propan-2-yl (E)-3-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]but-2-enoate
CID 15419653
CID 50923065
CID 50923065
dipropan-2-yl 2-aminopropanedioate
CID 141226348

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-propan-2-yloxycarbonyliminocarbamate;hydrobromide?
The IUPAC name of propan-2-yl N-propan-2-yloxycarbonyliminocarbamate;hydrobromide (CID 174566980) is propan-2-yl N-propan-2-yloxycarbonyliminocarbamate;hydrobromide.
What is the SMILES notation for propan-2-yl N-propan-2-yloxycarbonyliminocarbamate;hydrobromide?
The canonical SMILES for propan-2-yl N-propan-2-yloxycarbonyliminocarbamate;hydrobromide is Br.CC(C)OC(=O)N=NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-propan-2-yloxycarbonyliminocarbamate;hydrobromide?
The InChIKey is OCAZURVYEFJLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4.BrH/c1-5(2)13-7(11)9-10-8(12)14-6(3)4;/h5-6H,1-4H3;1H.
What are the key properties of propan-2-yl N-propan-2-yloxycarbonyliminocarbamate;hydrobromide?
propan-2-yl N-propan-2-yloxycarbonyliminocarbamate;hydrobromide has a molecular weight of 283.12 g/mol, XLogP of 3.11, 2 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-yloxycarbonyliminocarbamate;hydrobromide is sourced from PubChem (CID 174566980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).