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

C24H39NO2 — CID 118668200

IUPAC[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] octanoate
SMILESCCCCCCCC(=O)Oc1cccc2c1CC(N(CCC)CCC)CC2
InChIInChI=1S/C24H39NO2/c1-4-7-8-9-10-14-24(26)27-23-13-11-12-20-15-16-21(19-22(20)23)25(17-5-2)18-6-3/h11-13,21H,4-10,14-19H2,1-3H3
InChIKeyKBMLKMGYGFFLHN-UHFFFAOYSA-N
MW373.58 g/mol
LogP5.93
Rot. Bonds12

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

[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] octanoate (PubChem CID 118668200) has the molecular formula C24H39NO2 and a molecular weight of 373.58 g/mol. Its IUPAC name is [7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] octanoate.

Molecular Properties

Compound Name[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] octanoate
PubChem CID118668200
Molecular FormulaC24H39NO2
Molecular Weight373.58 g/mol
Exact Mass373.30
IUPAC Name[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] octanoate
SMILESCCCCCCCC(=O)Oc1cccc2c1CC(N(CCC)CCC)CC2
InChIInChI=1S/C24H39NO2/c1-4-7-8-9-10-14-24(26)27-23-13-11-12-20-15-16-21(19-22(20)23)25(17-5-2)18-6-3/h11-13,21H,4-10,14-19H2,1-3H3
InChIKeyKBMLKMGYGFFLHN-UHFFFAOYSA-N
XLogP5.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] dodecanoate
CID 118668160
[6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] 5-methyltridecanoate
CID 118668185
1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one
CID 10087077
hexadecanoyl chloride;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;[(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] octadecanoate
CID 158128317
5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
CID 90668689
[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] trifluoromethanesulfonate
CID 10022617
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 6603866
1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
CID 54473836
[(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] 3-[[18-(ethylamino)-18-oxooctadecanoyl]amino]propanoate
CID 170427764
8-(1-butoxyethenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10404331
1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone;[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] trifluoromethanesulfonate;hydrochloride
CID 158289356
[(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] 4-benzamidobutanoate
CID 175230911

Frequently Asked Questions

What is the IUPAC name of [7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] octanoate?
The IUPAC name of [7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] octanoate (CID 118668200) is [7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] octanoate.
What is the SMILES notation for [7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] octanoate?
The canonical SMILES for [7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] octanoate is CCCCCCCC(=O)Oc1cccc2c1CC(N(CCC)CCC)CC2.
What is the InChIKey of [7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] octanoate?
The InChIKey is KBMLKMGYGFFLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO2/c1-4-7-8-9-10-14-24(26)27-23-13-11-12-20-15-16-21(19-22(20)23)25(17-5-2)18-6-3/h11-13,21H,4-10,14-19H2,1-3H3.
What are the key properties of [7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] octanoate?
[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] octanoate has a molecular weight of 373.58 g/mol, XLogP of 5.93, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] octanoate is sourced from PubChem (CID 118668200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).