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

C13H17N — CID 71743862

IUPACspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine
SMILESNC1CCC12CCCc1ccccc12
InChIInChI=1S/C13H17N/c14-12-7-9-13(12)8-3-5-10-4-1-2-6-11(10)13/h1-2,4,6,12H,3,5,7-9,14H2
InChIKeyVTXPMARAOFGHLQ-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.38
Rot. Bonds

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

spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine (PubChem CID 71743862) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine.

Molecular Properties

Compound Namespiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine
PubChem CID71743862
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Namespiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine
SMILESNC1CCC12CCCc1ccccc12
InChIInChI=1S/C13H17N/c14-12-7-9-13(12)8-3-5-10-4-1-2-6-11(10)13/h1-2,4,6,12H,3,5,7-9,14H2
InChIKeyVTXPMARAOFGHLQ-UHFFFAOYSA-N
XLogP2.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97219151
spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrochloride
CID 71756685
2'-(bromomethyl)spiro[2,3-dihydro-1H-naphthalene-4,1'-cyclopropane]
CID 81351640
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
3-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)oxetane
CID 153095683
spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
CID 173049305
(1-cyclopropyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 104819342
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
CID 94557979
4,4,5,5-tetramethyl-2-[(1'S,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]-1,3,2-dioxaborolane
CID 166442850
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
(1-cyclopentyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 82933231

Frequently Asked Questions

What is the IUPAC name of spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine?
The IUPAC name of spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine (CID 71743862) is spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine.
What is the SMILES notation for spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine?
The canonical SMILES for spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine is NC1CCC12CCCc1ccccc12.
What is the InChIKey of spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine?
The InChIKey is VTXPMARAOFGHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c14-12-7-9-13(12)8-3-5-10-4-1-2-6-11(10)13/h1-2,4,6,12H,3,5,7-9,14H2.
What are the key properties of spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine?
spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine has a molecular weight of 187.29 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-amine is sourced from PubChem (CID 71743862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).