6-(4-methylcyclohexyl)-1,4-diazocane

C13H26N2 — CID 138509045

IUPAC6-(4-methylcyclohexyl)-1,4-diazocane
SMILESCC1CCC(C2CCNCCNC2)CC1
InChIInChI=1S/C13H26N2/c1-11-2-4-12(5-3-11)13-6-7-14-8-9-15-10-13/h11-15H,2-10H2,1H3
InChIKeyGTJPFCBQAHUDSH-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.01
Rot. Bonds1

About 6-(4-methylcyclohexyl)-1,4-diazocane

6-(4-methylcyclohexyl)-1,4-diazocane (PubChem CID 138509045) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 6-(4-methylcyclohexyl)-1,4-diazocane.

Molecular Properties

Compound Name6-(4-methylcyclohexyl)-1,4-diazocane
PubChem CID138509045
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name6-(4-methylcyclohexyl)-1,4-diazocane
SMILESCC1CCC(C2CCNCCNC2)CC1
InChIInChI=1S/C13H26N2/c1-11-2-4-12(5-3-11)13-6-7-14-8-9-15-10-13/h11-15H,2-10H2,1H3
InChIKeyGTJPFCBQAHUDSH-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
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4-(3-methylcyclopentyl)piperidine
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1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
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(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
CID 92720083
2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;hydrochloride
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bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane
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(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
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4-piperidin-4-ylpiperidine;trihydrochloride
CID 172779803
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylcyclohexyl)-1,4-diazocane?
The IUPAC name of 6-(4-methylcyclohexyl)-1,4-diazocane (CID 138509045) is 6-(4-methylcyclohexyl)-1,4-diazocane.
What is the SMILES notation for 6-(4-methylcyclohexyl)-1,4-diazocane?
The canonical SMILES for 6-(4-methylcyclohexyl)-1,4-diazocane is CC1CCC(C2CCNCCNC2)CC1.
What is the InChIKey of 6-(4-methylcyclohexyl)-1,4-diazocane?
The InChIKey is GTJPFCBQAHUDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11-2-4-12(5-3-11)13-6-7-14-8-9-15-10-13/h11-15H,2-10H2,1H3.
What are the key properties of 6-(4-methylcyclohexyl)-1,4-diazocane?
6-(4-methylcyclohexyl)-1,4-diazocane has a molecular weight of 210.36 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylcyclohexyl)-1,4-diazocane is sourced from PubChem (CID 138509045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).