3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane

C18H36N2 — CID 103968293

IUPAC3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane
SMILESCC1CNCC(C)CN(C2CC(C)(C)CC(C)(C)C2)C1
InChIInChI=1S/C18H36N2/c1-14-9-19-10-15(2)12-20(11-14)16-7-17(3,4)13-18(5,6)8-16/h14-16,19H,7-13H2,1-6H3
InChIKeyQJMNPKXQCXHRBK-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.77
Rot. Bonds1

About 3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane

3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane (PubChem CID 103968293) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane.

Molecular Properties

Compound Name3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane
PubChem CID103968293
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane
SMILESCC1CNCC(C)CN(C2CC(C)(C)CC(C)(C)C2)C1
InChIInChI=1S/C18H36N2/c1-14-9-19-10-15(2)12-20(11-14)16-7-17(3,4)13-18(5,6)8-16/h14-16,19H,7-13H2,1-6H3
InChIKeyQJMNPKXQCXHRBK-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane
CID 103968297
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperazine
CID 112682558
3-methyl-5-(3,3,5,5-tetramethylcyclohexyl)piperidine
CID 165455269
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane
CID 103968508
1-(3,3-dimethylcyclobutyl)-5-methylpiperidin-3-amine
CID 130934596
3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane
CID 114101785
3-(3,4-dimethylpyrrolidin-1-yl)-5-methylpiperidine
CID 115373534
3,5-dimethyl-1-(3,3,5-trimethylcyclohexyl)piperazine
CID 63863327
3-(3,7-dimethyl-1,5-diazocan-1-yl)thiane 1,1-dioxide
CID 63924763
1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane
CID 83039607
(3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol
CID 130802727
3,5-dimethyl-1-piperidin-4-ylpiperidine;ethane
CID 143377643

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane?
The IUPAC name of 3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane (CID 103968293) is 3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane.
What is the SMILES notation for 3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane?
The canonical SMILES for 3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane is CC1CNCC(C)CN(C2CC(C)(C)CC(C)(C)C2)C1.
What is the InChIKey of 3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane?
The InChIKey is QJMNPKXQCXHRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-14-9-19-10-15(2)12-20(11-14)16-7-17(3,4)13-18(5,6)8-16/h14-16,19H,7-13H2,1-6H3.
What are the key properties of 3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane?
3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane has a molecular weight of 280.50 g/mol, XLogP of 3.77, 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-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane is sourced from PubChem (CID 103968293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).