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

C16H32N2 — CID 103968297

IUPAC1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane
SMILESCC1(C)CC(N2CCCNCCC2)CC(C)(C)C1
InChIInChI=1S/C16H32N2/c1-15(2)11-14(12-16(3,4)13-15)18-9-5-7-17-8-6-10-18/h14,17H,5-13H2,1-4H3
InChIKeyBTGAJGSPGHZGBC-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds1

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

1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane (PubChem CID 103968297) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane.

Molecular Properties

Compound Name1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane
PubChem CID103968297
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane
SMILESCC1(C)CC(N2CCCNCCC2)CC(C)(C)C1
InChIInChI=1S/C16H32N2/c1-15(2)11-14(12-16(3,4)13-15)18-9-5-7-17-8-6-10-18/h14,17H,5-13H2,1-4H3
InChIKeyBTGAJGSPGHZGBC-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane
CID 103968508
1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane
CID 131034515
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperazine
CID 112682558
3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane
CID 103968293
1-piperidin-4-yl-1,4-diazepane
CID 53414008
[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]methanamine
CID 112682529
1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine
CID 83670813
1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550960
2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine
CID 112682550
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid
CID 103961419
1-(thietan-3-yl)-1,4-diazepane
CID 83874149
1-(azepan-4-yl)-3-methylazetidin-3-ol
CID 131182366

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane?
The IUPAC name of 1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane (CID 103968297) is 1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane.
What is the SMILES notation for 1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane?
The canonical SMILES for 1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane is CC1(C)CC(N2CCCNCCC2)CC(C)(C)C1.
What is the InChIKey of 1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane?
The InChIKey is BTGAJGSPGHZGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-15(2)11-14(12-16(3,4)13-15)18-9-5-7-17-8-6-10-18/h14,17H,5-13H2,1-4H3.
What are the key properties of 1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane?
1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane has a molecular weight of 252.45 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane is sourced from PubChem (CID 103968297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).