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

C16H24N2 — CID 62316741

IUPAC1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
SMILESc1ccc2c(c1)CCCC2N1CCCNCCC1
InChIInChI=1S/C16H24N2/c1-2-8-15-14(6-1)7-3-9-16(15)18-12-4-10-17-11-5-13-18/h1-2,6,8,16-17H,3-5,7,9-13H2
InChIKeyGEMMAZYUCIYHBK-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.75
Rot. Bonds1

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

1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane (PubChem CID 62316741) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
PubChem CID62316741
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
SMILESc1ccc2c(c1)CCCC2N1CCCNCCC1
InChIInChI=1S/C16H24N2/c1-2-8-15-14(6-1)7-3-9-16(15)18-12-4-10-17-11-5-13-18/h1-2,6,8,16-17H,3-5,7,9-13H2
InChIKeyGEMMAZYUCIYHBK-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane (CID 62316741) is 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane is c1ccc2c(c1)CCCC2N1CCCNCCC1.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane?
The InChIKey is GEMMAZYUCIYHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-8-15-14(6-1)7-3-9-16(15)18-12-4-10-17-11-5-13-18/h1-2,6,8,16-17H,3-5,7,9-13H2.
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane?
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane has a molecular weight of 244.38 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane is sourced from PubChem (CID 62316741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).