8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

C17H23NO — CID 106169248

IUPAC8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)C(NCCC1=CCCC1)CCC2
InChIInChI=1S/C17H23NO/c19-15-9-8-14-6-3-7-17(16(14)12-15)18-11-10-13-4-1-2-5-13/h4,8-9,12,17-19H,1-3,5-7,10-11H2
InChIKeyFPHHJFPMYUPKJI-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.86
Rot. Bonds4

About 8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 106169248) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID106169248
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)C(NCCC1=CCCC1)CCC2
InChIInChI=1S/C17H23NO/c19-15-9-8-14-6-3-7-17(16(14)12-15)18-11-10-13-4-1-2-5-13/h4,8-9,12,17-19H,1-3,5-7,10-11H2
InChIKeyFPHHJFPMYUPKJI-UHFFFAOYSA-N
XLogP3.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106169705
N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113349085
8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090966
1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 114153405
8-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103847281
8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 138043504
1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43637028
N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106170157
3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 115765361
5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103917393
8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090967
5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
CID 15226997

Frequently Asked Questions

What is the IUPAC name of 8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 106169248) is 8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1)C(NCCC1=CCCC1)CCC2.
What is the InChIKey of 8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is FPHHJFPMYUPKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-15-9-8-14-6-3-7-17(16(14)12-15)18-11-10-13-4-1-2-5-13/h4,8-9,12,17-19H,1-3,5-7,10-11H2.
What are the key properties of 8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 257.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 106169248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).