cyclohexyl-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanone

C23H35NO — CID 15233535

IUPACcyclohexyl-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanone
SMILESCCCN(CCC)C1CCc2cccc(C(=O)C3CCCCC3)c2C1
InChIInChI=1S/C23H35NO/c1-3-15-24(16-4-2)20-14-13-18-11-8-12-21(22(18)17-20)23(25)19-9-6-5-7-10-19/h8,11-12,19-20H,3-7,9-10,13-17H2,1-2H3
InChIKeyXHDDGPAXYUVBDO-UHFFFAOYSA-N
MW341.54 g/mol
LogP5.43
Rot. Bonds7

About cyclohexyl-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanone

cyclohexyl-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanone (PubChem CID 15233535) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is cyclohexyl-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanone
PubChem CID15233535
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC Namecyclohexyl-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanone
SMILESCCCN(CCC)C1CCc2cccc(C(=O)C3CCCCC3)c2C1
InChIInChI=1S/C23H35NO/c1-3-15-24(16-4-2)20-14-13-18-11-8-12-21(22(18)17-20)23(25)19-9-6-5-7-10-19/h8,11-12,19-20H,3-7,9-10,13-17H2,1-2H3
InChIKeyXHDDGPAXYUVBDO-UHFFFAOYSA-N
XLogP5.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanone?
The IUPAC name of cyclohexyl-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanone (CID 15233535) is cyclohexyl-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanone?
The canonical SMILES for cyclohexyl-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanone is CCCN(CCC)C1CCc2cccc(C(=O)C3CCCCC3)c2C1.
What is the InChIKey of cyclohexyl-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanone?
The InChIKey is XHDDGPAXYUVBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO/c1-3-15-24(16-4-2)20-14-13-18-11-8-12-21(22(18)17-20)23(25)19-9-6-5-7-10-19/h8,11-12,19-20H,3-7,9-10,13-17H2,1-2H3.
What are the key properties of cyclohexyl-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanone?
cyclohexyl-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanone has a molecular weight of 341.54 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanone is sourced from PubChem (CID 15233535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).