1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol

C17H23NO — CID 43637028

IUPAC1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2NCCC1=CCCCC1
InChIInChI=1S/C17H23NO/c19-17-8-4-7-14-15(17)9-10-16(14)18-12-11-13-5-2-1-3-6-13/h4-5,7-8,16,18-19H,1-3,6,9-12H2
InChIKeyWOSUESQEMVLDPW-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.86
Rot. Bonds4

About 1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol

1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 43637028) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
PubChem CID43637028
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2NCCC1=CCCCC1
InChIInChI=1S/C17H23NO/c19-17-8-4-7-14-15(17)9-10-16(14)18-12-11-13-5-2-1-3-6-13/h4-5,7-8,16,18-19H,1-3,6,9-12H2
InChIKeyWOSUESQEMVLDPW-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]-2,3-dihydro-1H-inden-1-amine
CID 113349085
N-[2-(cyclopenten-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106169705
1-(2-cyclohexylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 54931966
N-[2-(cyclohexen-1-yl)ethyl]-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43766388
N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106170157
1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 114153405
1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 106426048
1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol
CID 113343184
8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106169248
1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol
CID 62380402
5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
CID 15226997
1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 63822385

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol (CID 43637028) is 1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol is Oc1cccc2c1CCC2NCCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is WOSUESQEMVLDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-17-8-4-7-14-15(17)9-10-16(14)18-12-11-13-5-2-1-3-6-13/h4-5,7-8,16,18-19H,1-3,6,9-12H2.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-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 1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43637028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).