1-benzyl-4,4-dimethyl-1,5-diazocane

C15H24N2 — CID 117014627

IUPAC1-benzyl-4,4-dimethyl-1,5-diazocane
SMILESCC1(C)CCN(Cc2ccccc2)CCCN1
InChIInChI=1S/C15H24N2/c1-15(2)9-12-17(11-6-10-16-15)13-14-7-4-3-5-8-14/h3-5,7-8,16H,6,9-13H2,1-2H3
InChIKeyHCGDILLKBNCJFB-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.65
Rot. Bonds2

About 1-benzyl-4,4-dimethyl-1,5-diazocane

1-benzyl-4,4-dimethyl-1,5-diazocane (PubChem CID 117014627) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-benzyl-4,4-dimethyl-1,5-diazocane.

Molecular Properties

Compound Name1-benzyl-4,4-dimethyl-1,5-diazocane
PubChem CID117014627
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-benzyl-4,4-dimethyl-1,5-diazocane
SMILESCC1(C)CCN(Cc2ccccc2)CCCN1
InChIInChI=1S/C15H24N2/c1-15(2)9-12-17(11-6-10-16-15)13-14-7-4-3-5-8-14/h3-5,7-8,16H,6,9-13H2,1-2H3
InChIKeyHCGDILLKBNCJFB-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 25212930
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7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
CID 145233671
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
1-benzylpyrrolidine;propane
CID 143692089
1-benzylazepane
CID 10954328
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,4-dimethyl-1,5-diazocane?
The IUPAC name of 1-benzyl-4,4-dimethyl-1,5-diazocane (CID 117014627) is 1-benzyl-4,4-dimethyl-1,5-diazocane.
What is the SMILES notation for 1-benzyl-4,4-dimethyl-1,5-diazocane?
The canonical SMILES for 1-benzyl-4,4-dimethyl-1,5-diazocane is CC1(C)CCN(Cc2ccccc2)CCCN1.
What is the InChIKey of 1-benzyl-4,4-dimethyl-1,5-diazocane?
The InChIKey is HCGDILLKBNCJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2)9-12-17(11-6-10-16-15)13-14-7-4-3-5-8-14/h3-5,7-8,16H,6,9-13H2,1-2H3.
What are the key properties of 1-benzyl-4,4-dimethyl-1,5-diazocane?
1-benzyl-4,4-dimethyl-1,5-diazocane has a molecular weight of 232.37 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,4-dimethyl-1,5-diazocane is sourced from PubChem (CID 117014627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).