6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine

C13H16BrN — CID 115057072

IUPAC6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine
SMILESNC1CCc2cc(Br)ccc2C12CCC2
InChIInChI=1S/C13H16BrN/c14-10-3-4-11-9(8-10)2-5-12(15)13(11)6-1-7-13/h3-4,8,12H,1-2,5-7,15H2
InChIKeyKZWNHFDZXHHLRT-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.14
Rot. Bonds

About 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine

6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine (PubChem CID 115057072) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine.

Molecular Properties

Compound Name6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine
PubChem CID115057072
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine
SMILESNC1CCc2cc(Br)ccc2C12CCC2
InChIInChI=1S/C13H16BrN/c14-10-3-4-11-9(8-10)2-5-12(15)13(11)6-1-7-13/h3-4,8,12H,1-2,5-7,15H2
InChIKeyKZWNHFDZXHHLRT-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine
CID 115057341
(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
6-aminospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-2-ol
CID 115057087
6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057075
[(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol
CID 124572310
6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 167091801
7-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-ol
CID 115010781
(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
CID 86326564
spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine
CID 71743862
1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol
CID 83913110
5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine
CID 115057137

Frequently Asked Questions

What is the IUPAC name of 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine?
The IUPAC name of 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine (CID 115057072) is 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine.
What is the SMILES notation for 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine?
The canonical SMILES for 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine is NC1CCc2cc(Br)ccc2C12CCC2.
What is the InChIKey of 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine?
The InChIKey is KZWNHFDZXHHLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c14-10-3-4-11-9(8-10)2-5-12(15)13(11)6-1-7-13/h3-4,8,12H,1-2,5-7,15H2.
What are the key properties of 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine?
6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine has a molecular weight of 266.18 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-amine is sourced from PubChem (CID 115057072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).