5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol

C17H27NO2 — CID 106144036

IUPAC5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(CCCO)CNC1CCCc2cc(O)ccc21
InChIInChI=1S/C17H27NO2/c1-17(2,9-4-10-19)12-18-16-6-3-5-13-11-14(20)7-8-15(13)16/h7-8,11,16,18-20H,3-6,9-10,12H2,1-2H3
InChIKeyRYRDFURNTBJHDI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.16
Rot. Bonds6

About 5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol

5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 106144036) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID106144036
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)(CCCO)CNC1CCCc2cc(O)ccc21
InChIInChI=1S/C17H27NO2/c1-17(2,9-4-10-19)12-18-16-6-3-5-13-11-14(20)7-8-15(13)16/h7-8,11,16,18-20H,3-6,9-10,12H2,1-2H3
InChIKeyRYRDFURNTBJHDI-UHFFFAOYSA-N
XLogP3.16
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

8-[(4-hydroxy-2,2-dimethylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106143367
4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol
CID 103787626
5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114331480
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 115359037
3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2,2-dimethylpropanenitrile
CID 107682691
6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104628924
1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682417
5-[2-[ethyl(methyl)amino]ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 62634516
5-[2-[ethyl(propyl)amino]ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103917623
2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propane-1,3-diol
CID 65310523
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103965960
5-(3,4-dihydro-1H-isochromen-4-ylamino)-4,4-dimethylpentan-1-ol
CID 106144670

Frequently Asked Questions

What is the IUPAC name of 5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 106144036) is 5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is CC(C)(CCCO)CNC1CCCc2cc(O)ccc21.
What is the InChIKey of 5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is RYRDFURNTBJHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,9-4-10-19)12-18-16-6-3-5-13-11-14(20)7-8-15(13)16/h7-8,11,16,18-20H,3-6,9-10,12H2,1-2H3.
What are the key properties of 5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 277.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 106144036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).