7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol

C14H19NO — CID 115057224

IUPAC7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol
SMILESNCC1CCc2cccc(O)c2C12CCC2
InChIInChI=1S/C14H19NO/c15-9-11-6-5-10-3-1-4-12(16)13(10)14(11)7-2-8-14/h1,3-4,11,16H,2,5-9,15H2
InChIKeySOCRHYKEGFNSEM-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.34
Rot. Bonds1

About 7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol

7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol (PubChem CID 115057224) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol.

Molecular Properties

Compound Name7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol
PubChem CID115057224
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol
SMILESNCC1CCc2cccc(O)c2C12CCC2
InChIInChI=1S/C14H19NO/c15-9-11-6-5-10-3-1-4-12(16)13(10)14(11)7-2-8-14/h1,3-4,11,16H,2,5-9,15H2
InChIKeySOCRHYKEGFNSEM-UHFFFAOYSA-N
XLogP2.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol?
The IUPAC name of 7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol (CID 115057224) is 7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol.
What is the SMILES notation for 7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol?
The canonical SMILES for 7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol is NCC1CCc2cccc(O)c2C12CCC2.
What is the InChIKey of 7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol?
The InChIKey is SOCRHYKEGFNSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-9-11-6-5-10-3-1-4-12(16)13(10)14(11)7-2-8-14/h1,3-4,11,16H,2,5-9,15H2.
What are the key properties of 7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol?
7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol has a molecular weight of 217.31 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol is sourced from PubChem (CID 115057224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).