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

C16H25NO — CID 10125797

IUPAC(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCC)[C@H]1CCc2cccc(O)c2C1
InChIInChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
InChIKeyASXGJMSKWNBENU-AWEZNQCLSA-N
MW247.38 g/mol
LogP3.37
Rot. Bonds5

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

(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 10125797) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID10125797
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN(CCC)[C@H]1CCc2cccc(O)c2C1
InChIInChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
InChIKeyASXGJMSKWNBENU-AWEZNQCLSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 10125797) is (7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is CCCN(CCC)[C@H]1CCc2cccc(O)c2C1.
What is the InChIKey of (7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is ASXGJMSKWNBENU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 10125797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).