3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane

C18H28N2 — CID 62316740

IUPAC3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
SMILESCC1CNCC(C)CN(C2CCCc3ccccc32)C1
InChIInChI=1S/C18H28N2/c1-14-10-19-11-15(2)13-20(12-14)18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,14-15,18-19H,5,7,9-13H2,1-2H3
InChIKeyQQEXUSYUMUNOKO-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.24
Rot. Bonds1

About 3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane

3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane (PubChem CID 62316740) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane.

Molecular Properties

Compound Name3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
PubChem CID62316740
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
SMILESCC1CNCC(C)CN(C2CCCc3ccccc32)C1
InChIInChI=1S/C18H28N2/c1-14-10-19-11-15(2)13-20(12-14)18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,14-15,18-19H,5,7,9-13H2,1-2H3
InChIKeyQQEXUSYUMUNOKO-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine
CID 79987341
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
(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
1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid
CID 65072102
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 112630332
4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244157
(4aS,7aS)-6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678925
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
2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole
CID 94161380
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678082

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane?
The IUPAC name of 3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane (CID 62316740) is 3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane.
What is the SMILES notation for 3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane?
The canonical SMILES for 3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane is CC1CNCC(C)CN(C2CCCc3ccccc32)C1.
What is the InChIKey of 3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane?
The InChIKey is QQEXUSYUMUNOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-10-19-11-15(2)13-20(12-14)18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,14-15,18-19H,5,7,9-13H2,1-2H3.
What are the key properties of 3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane?
3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane has a molecular weight of 272.44 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane is sourced from PubChem (CID 62316740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).