(7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol

C17H27NO — CID 3085297

IUPAC(7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCC)[C@@H]1CCc2cccc(O)c2[C@@H]1C
InChIInChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-16(19)17(14)13(15)3/h6-8,13,15,19H,4-5,9-12H2,1-3H3/t13-,15-/m1/s1
InChIKeyZNLWDIZBTNNEHH-UKRRQHHQSA-N
MW261.41 g/mol
LogP3.93
Rot. Bonds5

About (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol

(7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 3085297) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID3085297
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCC)[C@@H]1CCc2cccc(O)c2[C@@H]1C
InChIInChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-16(19)17(14)13(15)3/h6-8,13,15,19H,4-5,9-12H2,1-3H3/t13-,15-/m1/s1
InChIKeyZNLWDIZBTNNEHH-UKRRQHHQSA-N
XLogP3.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol (CID 3085297) is (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol is CCCN(CCC)[C@@H]1CCc2cccc(O)c2[C@@H]1C.
What is the InChIKey of (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is ZNLWDIZBTNNEHH-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-16(19)17(14)13(15)3/h6-8,13,15,19H,4-5,9-12H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol?
(7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8S)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 3085297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).