5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

C17H27NO — CID 82982360

IUPAC5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCC(N(C)C1CCCc2c(O)cccc21)C(C)(C)C
InChIInChI=1S/C17H27NO/c1-12(17(2,3)4)18(5)15-10-6-9-14-13(15)8-7-11-16(14)19/h7-8,11-12,15,19H,6,9-10H2,1-5H3
InChIKeyNPEPNLYDVHBPLT-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.14
Rot. Bonds2

About 5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 82982360) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID82982360
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCC(N(C)C1CCCc2c(O)cccc21)C(C)(C)C
InChIInChI=1S/C17H27NO/c1-12(17(2,3)4)18(5)15-10-6-9-14-13(15)8-7-11-16(14)19/h7-8,11-12,15,19H,6,9-10H2,1-5H3
InChIKeyNPEPNLYDVHBPLT-UHFFFAOYSA-N
XLogP4.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 82982360) is 5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol is CC(N(C)C1CCCc2c(O)cccc21)C(C)(C)C.
What is the InChIKey of 5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is NPEPNLYDVHBPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(17(2,3)4)18(5)15-10-6-9-14-13(15)8-7-11-16(14)19/h7-8,11-12,15,19H,6,9-10H2,1-5H3.
What are the key properties of 5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol?
5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 261.41 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 82982360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).