(7R,8S)-8-prop-2-enyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

C16H23NO — CID 10332122

IUPAC(7R,8S)-8-prop-2-enyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESC=CC[C@H]1c2c(O)cccc2CC[C@H]1NCCC
InChIInChI=1S/C16H23NO/c1-3-6-13-14(17-11-4-2)10-9-12-7-5-8-15(18)16(12)13/h3,5,7-8,13-14,17-18H,1,4,6,9-11H2,2H3/t13-,14-/m1/s1
InChIKeyPYYAICINUKGGGB-ZIAGYGMSSA-N
MW245.37 g/mol
LogP3.37
Rot. Bonds5

About (7R,8S)-8-prop-2-enyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

(7R,8S)-8-prop-2-enyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 10332122) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (7R,8S)-8-prop-2-enyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(7R,8S)-8-prop-2-enyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID10332122
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(7R,8S)-8-prop-2-enyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESC=CC[C@H]1c2c(O)cccc2CC[C@H]1NCCC
InChIInChI=1S/C16H23NO/c1-3-6-13-14(17-11-4-2)10-9-12-7-5-8-15(18)16(12)13/h3,5,7-8,13-14,17-18H,1,4,6,9-11H2,2H3/t13-,14-/m1/s1
InChIKeyPYYAICINUKGGGB-ZIAGYGMSSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7R,8S)-8-prop-2-enyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (7R,8S)-8-prop-2-enyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 10332122) is (7R,8S)-8-prop-2-enyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (7R,8S)-8-prop-2-enyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (7R,8S)-8-prop-2-enyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is C=CC[C@H]1c2c(O)cccc2CC[C@H]1NCCC.
What is the InChIKey of (7R,8S)-8-prop-2-enyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is PYYAICINUKGGGB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-6-13-14(17-11-4-2)10-9-12-7-5-8-15(18)16(12)13/h3,5,7-8,13-14,17-18H,1,4,6,9-11H2,2H3/t13-,14-/m1/s1.
What are the key properties of (7R,8S)-8-prop-2-enyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
(7R,8S)-8-prop-2-enyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 245.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8S)-8-prop-2-enyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 10332122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).