(1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide

C11H13Br2N — CID 129284856

IUPAC(1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide
SMILESBr.N[C@@H]1C[C@@]12CCc1c(Br)cccc12
InChIInChI=1S/C11H12BrN.BrH/c12-9-3-1-2-8-7(9)4-5-11(8)6-10(11)13;/h1-3,10H,4-6,13H2;1H/t10-,11-;/m1./s1
InChIKeyGUPPPJDEAAEXSE-NDXYWBNTSA-N
MW319.04 g/mol
LogP2.94
Rot. Bonds

About (1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide

(1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide (PubChem CID 129284856) has the molecular formula C11H13Br2N and a molecular weight of 319.04 g/mol. Its IUPAC name is (1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide.

Molecular Properties

Compound Name(1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide
PubChem CID129284856
Molecular FormulaC11H13Br2N
Molecular Weight319.04 g/mol
Exact Mass316.94
IUPAC Name(1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide
SMILESBr.N[C@@H]1C[C@@]12CCc1c(Br)cccc12
InChIInChI=1S/C11H12BrN.BrH/c12-9-3-1-2-8-7(9)4-5-11(8)6-10(11)13;/h1-3,10H,4-6,13H2;1H/t10-,11-;/m1./s1
InChIKeyGUPPPJDEAAEXSE-NDXYWBNTSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.04
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;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

5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine
CID 115057137
spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrochloride
CID 71756685
(4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine
CID 84728034
(1'R,3R)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 124572230
(1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 129284661
5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057136
methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate
CID 83913602
methyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate
CID 102098459
4-bromospiro[1,3-dihydroindene-2,1'-cyclopropane]-1-amine
CID 82277978
5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-amine
CID 115057113
2-bromo-7,7-dichlorobicyclo[4.2.0]octa-1(6),2,4-triene
CID 23628643
2-(5-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)acetic acid
CID 115057405

Frequently Asked Questions

What is the IUPAC name of (1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide?
The IUPAC name of (1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide (CID 129284856) is (1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide.
What is the SMILES notation for (1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide?
The canonical SMILES for (1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide is Br.N[C@@H]1C[C@@]12CCc1c(Br)cccc12.
What is the InChIKey of (1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide?
The InChIKey is GUPPPJDEAAEXSE-NDXYWBNTSA-N. The full InChI is InChI=1S/C11H12BrN.BrH/c12-9-3-1-2-8-7(9)4-5-11(8)6-10(11)13;/h1-3,10H,4-6,13H2;1H/t10-,11-;/m1./s1.
What are the key properties of (1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide?
(1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide has a molecular weight of 319.04 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide is sourced from PubChem (CID 129284856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).