4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane

C18H28N2 — CID 62316210

IUPAC4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
SMILESCCC1CCN(C2CCCc3ccccc32)CCCN1
InChIInChI=1S/C18H28N2/c1-2-16-11-14-20(13-6-12-19-16)18-10-5-8-15-7-3-4-9-17(15)18/h3-4,7,9,16,18-19H,2,5-6,8,10-14H2,1H3
InChIKeyYUJHKXGIEJLXSE-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.53
Rot. Bonds2

About 4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane

4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane (PubChem CID 62316210) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane.

Molecular Properties

Compound Name4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
PubChem CID62316210
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
SMILESCCC1CCN(C2CCCc3ccccc32)CCCN1
InChIInChI=1S/C18H28N2/c1-2-16-11-14-20(13-6-12-19-16)18-10-5-8-15-7-3-4-9-17(15)18/h3-4,7,9,16,18-19H,2,5-6,8,10-14H2,1H3
InChIKeyYUJHKXGIEJLXSE-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol
CID 111113908
[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]methanol
CID 110899348
1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane
CID 70273162
2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine
CID 10515461
1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 112630332
(4aS,7aS)-6-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678936
N,4-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine
CID 115303980
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 78986460
1-[(1S)-2,3-dihydro-1H-inden-1-yl]piperazine
CID 30634298

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane?
The IUPAC name of 4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane (CID 62316210) is 4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane.
What is the SMILES notation for 4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane?
The canonical SMILES for 4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane is CCC1CCN(C2CCCc3ccccc32)CCCN1.
What is the InChIKey of 4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane?
The InChIKey is YUJHKXGIEJLXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-16-11-14-20(13-6-12-19-16)18-10-5-8-15-7-3-4-9-17(15)18/h3-4,7,9,16,18-19H,2,5-6,8,10-14H2,1H3.
What are the key properties of 4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane?
4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane has a molecular weight of 272.44 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane is sourced from PubChem (CID 62316210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).