bromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;hydrobromide

C9H15Br2NO2 — CID 70567061

IUPACbromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;hydrobromide
SMILESBr.CN(C(=O)OBr)C1CC2CCC1C2
InChIInChI=1S/C9H14BrNO2.BrH/c1-11(9(12)13-10)8-5-6-2-3-7(8)4-6;/h6-8H,2-5H2,1H3;1H
InChIKeyPJDYWGLHVRSTCA-UHFFFAOYSA-N
MW329.03 g/mol
LogP3.13
Rot. Bonds1

About bromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;hydrobromide

bromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;hydrobromide (PubChem CID 70567061) has the molecular formula C9H15Br2NO2 and a molecular weight of 329.03 g/mol. Its IUPAC name is bromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;hydrobromide.

Molecular Properties

Compound Namebromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;hydrobromide
PubChem CID70567061
Molecular FormulaC9H15Br2NO2
Molecular Weight329.03 g/mol
Exact Mass326.95
IUPAC Namebromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;hydrobromide
SMILESBr.CN(C(=O)OBr)C1CC2CCC1C2
InChIInChI=1S/C9H14BrNO2.BrH/c1-11(9(12)13-10)8-5-6-2-3-7(8)4-6;/h6-8H,2-5H2,1H3;1H
InChIKeyPJDYWGLHVRSTCA-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.03
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze bromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;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

N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methyl-4-nitrobenzamide
CID 11637636
N-(2-bicyclo[2.2.1]heptanyloxy)-N-methylmethanamine
CID 76852044
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine
CID 99908285
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
N-(2-bicyclo[2.2.1]heptanyl)-N-methylethanesulfonamide
CID 127003842
(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588
N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine
CID 1378401
N-(2-aminocyclohexyl)-N-methyladamantane-2-carboxamide
CID 102638866
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chlorocyclohexyl)-N-methylacetamide
CID 102638147
2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
CID 43596040
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175
4-O-(2-bicyclo[2.2.1]heptanyl) 1-O-propyl butanedioate
CID 91702543

Frequently Asked Questions

What is the IUPAC name of bromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;hydrobromide?
The IUPAC name of bromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;hydrobromide (CID 70567061) is bromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;hydrobromide.
What is the SMILES notation for bromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;hydrobromide?
The canonical SMILES for bromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;hydrobromide is Br.CN(C(=O)OBr)C1CC2CCC1C2.
What is the InChIKey of bromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;hydrobromide?
The InChIKey is PJDYWGLHVRSTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2.BrH/c1-11(9(12)13-10)8-5-6-2-3-7(8)4-6;/h6-8H,2-5H2,1H3;1H.
What are the key properties of bromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;hydrobromide?
bromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;hydrobromide has a molecular weight of 329.03 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo N-(2-bicyclo[2.2.1]heptanyl)-N-methylcarbamate;hydrobromide is sourced from PubChem (CID 70567061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).