3-amino-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol

C20H23NO — CID 166517170

IUPAC3-amino-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol
SMILESNC1CC2CCCC=C2C(c2cccc3ccccc23)C1O
InChIInChI=1S/C20H23NO/c21-18-12-14-7-2-4-10-16(14)19(20(18)22)17-11-5-8-13-6-1-3-9-15(13)17/h1,3,5-6,8-11,14,18-20,22H,2,4,7,12,21H2
InChIKeyZVDKRBFZTGMLPM-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.74
Rot. Bonds1

About 3-amino-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol

3-amino-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol (PubChem CID 166517170) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-amino-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-amino-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol
PubChem CID166517170
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name3-amino-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol
SMILESNC1CC2CCCC=C2C(c2cccc3ccccc23)C1O
InChIInChI=1S/C20H23NO/c21-18-12-14-7-2-4-10-16(14)19(20(18)22)17-11-5-8-13-6-1-3-9-15(13)17/h1,3,5-6,8-11,14,18-20,22H,2,4,7,12,21H2
InChIKeyZVDKRBFZTGMLPM-UHFFFAOYSA-N
XLogP3.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.74
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

(2R,3R)-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2,3-diamine
CID 91214634
2-naphthalen-1-ylcyclopropan-1-amine
CID 43810345
2-naphthalen-1-yl-2,3,4,5-tetrahydropyridine
CID 54298424
N-methyl-3-naphthalen-1-ylcyclohexan-1-amine
CID 59830952
2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine
CID 123204598
(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 174024474
azane;2-cyclohexyl-1-nitrosonaphthalene
CID 88719595
(3S)-3-naphthalen-1-ylcycloheptan-1-one
CID 101392691
(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 66870779
5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol
CID 155012089
(1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol
CID 22843614
2-naphthalen-1-yl-4-propylcyclohexan-1-amine
CID 81014619

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol?
The IUPAC name of 3-amino-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol (CID 166517170) is 3-amino-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol.
What is the SMILES notation for 3-amino-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol?
The canonical SMILES for 3-amino-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol is NC1CC2CCCC=C2C(c2cccc3ccccc23)C1O.
What is the InChIKey of 3-amino-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol?
The InChIKey is ZVDKRBFZTGMLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c21-18-12-14-7-2-4-10-16(14)19(20(18)22)17-11-5-8-13-6-1-3-9-15(13)17/h1,3,5-6,8-11,14,18-20,22H,2,4,7,12,21H2.
What are the key properties of 3-amino-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol?
3-amino-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol has a molecular weight of 293.41 g/mol, XLogP of 3.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol is sourced from PubChem (CID 166517170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).