(6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine

C14H18BrN — CID 115057341

IUPAC(6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine
SMILESNCC1CCc2cc(Br)ccc2C12CCC2
InChIInChI=1S/C14H18BrN/c15-12-4-5-13-10(8-12)2-3-11(9-16)14(13)6-1-7-14/h4-5,8,11H,1-3,6-7,9,16H2
InChIKeyKDRNTMPHZUQZNW-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.39
Rot. Bonds1

About (6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine

(6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine (PubChem CID 115057341) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is (6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine.

Molecular Properties

Compound Name(6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine
PubChem CID115057341
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name(6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine
SMILESNCC1CCc2cc(Br)ccc2C12CCC2
InChIInChI=1S/C14H18BrN/c15-12-4-5-13-10(8-12)2-3-11(9-16)14(13)6-1-7-14/h4-5,8,11H,1-3,6-7,9,16H2
InChIKeyKDRNTMPHZUQZNW-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.39
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-amine
CID 115057072
(6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine
CID 115057321
(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
7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol
CID 115057224
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
1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol
CID 83913110
2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
CID 115057332
(7-methylspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)methanamine
CID 115057247
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

Frequently Asked Questions

What is the IUPAC name of (6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine?
The IUPAC name of (6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine (CID 115057341) is (6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine.
What is the SMILES notation for (6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine?
The canonical SMILES for (6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine is NCC1CCc2cc(Br)ccc2C12CCC2.
What is the InChIKey of (6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine?
The InChIKey is KDRNTMPHZUQZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c15-12-4-5-13-10(8-12)2-3-11(9-16)14(13)6-1-7-14/h4-5,8,11H,1-3,6-7,9,16H2.
What are the key properties of (6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine?
(6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine has a molecular weight of 280.21 g/mol, XLogP of 3.39, 1 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-yl)methanamine is sourced from PubChem (CID 115057341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).