2-(2-aminoethyl)spiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol

C16H23NO — CID 19983233

IUPAC2-(2-aminoethyl)spiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol
SMILESNCCC1(O)CCc2ccccc2C12CCCC2
InChIInChI=1S/C16H23NO/c17-12-11-16(18)10-7-13-5-1-2-6-14(13)15(16)8-3-4-9-15/h1-2,5-6,18H,3-4,7-12,17H2
InChIKeyOOYLLOONMCLOML-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.52
Rot. Bonds2

About 2-(2-aminoethyl)spiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol

2-(2-aminoethyl)spiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol (PubChem CID 19983233) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(2-aminoethyl)spiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol.

Molecular Properties

Compound Name2-(2-aminoethyl)spiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol
PubChem CID19983233
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(2-aminoethyl)spiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol
SMILESNCCC1(O)CCc2ccccc2C12CCCC2
InChIInChI=1S/C16H23NO/c17-12-11-16(18)10-7-13-5-1-2-6-14(13)15(16)8-3-4-9-15/h1-2,5-6,18H,3-4,7-12,17H2
InChIKeyOOYLLOONMCLOML-UHFFFAOYSA-N
XLogP2.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)spiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol?
The IUPAC name of 2-(2-aminoethyl)spiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol (CID 19983233) is 2-(2-aminoethyl)spiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol.
What is the SMILES notation for 2-(2-aminoethyl)spiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol?
The canonical SMILES for 2-(2-aminoethyl)spiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol is NCCC1(O)CCc2ccccc2C12CCCC2.
What is the InChIKey of 2-(2-aminoethyl)spiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol?
The InChIKey is OOYLLOONMCLOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c17-12-11-16(18)10-7-13-5-1-2-6-14(13)15(16)8-3-4-9-15/h1-2,5-6,18H,3-4,7-12,17H2.
What are the key properties of 2-(2-aminoethyl)spiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol?
2-(2-aminoethyl)spiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol has a molecular weight of 245.37 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)spiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol is sourced from PubChem (CID 19983233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).