8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

C17H25NO — CID 138043504

IUPAC8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC1(C)CC(CNC2CCCc3ccc(O)cc32)C1
InChIInChI=1S/C17H25NO/c1-17(2)9-12(10-17)11-18-16-5-3-4-13-6-7-14(19)8-15(13)16/h6-8,12,16,18-19H,3-5,9-11H2,1-2H3
InChIKeyYAISOHPZZKPNOO-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.80
Rot. Bonds3

About 8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 138043504) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID138043504
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC1(C)CC(CNC2CCCc3ccc(O)cc32)C1
InChIInChI=1S/C17H25NO/c1-17(2)9-12(10-17)11-18-16-5-3-4-13-6-7-14(19)8-15(13)16/h6-8,12,16,18-19H,3-5,9-11H2,1-2H3
InChIKeyYAISOHPZZKPNOO-UHFFFAOYSA-N
XLogP3.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090966
8-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103847281
8-[(4-hydroxy-2,2-dimethylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106143367
8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106169248
8-[(1-hydroxy-3-methylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090991
5-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 62522817
2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide
CID 106235285
8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090967
trans-(1S,3S)-3-[[[(1R)-7-nitro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]cyclopentan-1-ol
CID 124625892
8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106158830
6-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 115867658
5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114331480

Frequently Asked Questions

What is the IUPAC name of 8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 138043504) is 8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is CC1(C)CC(CNC2CCCc3ccc(O)cc32)C1.
What is the InChIKey of 8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is YAISOHPZZKPNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(2)9-12(10-17)11-18-16-5-3-4-13-6-7-14(19)8-15(13)16/h6-8,12,16,18-19H,3-5,9-11H2,1-2H3.
What are the key properties of 8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 259.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 138043504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).