3,3-dimethyl-1-(2-methylphenyl)-1,5-diazocane

C15H24N2 — CID 117014530

IUPAC3,3-dimethyl-1-(2-methylphenyl)-1,5-diazocane
SMILESCc1ccccc1N1CCCNCC(C)(C)C1
InChIInChI=1S/C15H24N2/c1-13-7-4-5-8-14(13)17-10-6-9-16-11-15(2,3)12-17/h4-5,7-8,16H,6,9-12H2,1-3H3
InChIKeyGIVUPQBGSOJIER-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.82
Rot. Bonds1

About 3,3-dimethyl-1-(2-methylphenyl)-1,5-diazocane

3,3-dimethyl-1-(2-methylphenyl)-1,5-diazocane (PubChem CID 117014530) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methylphenyl)-1,5-diazocane.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methylphenyl)-1,5-diazocane
PubChem CID117014530
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3,3-dimethyl-1-(2-methylphenyl)-1,5-diazocane
SMILESCc1ccccc1N1CCCNCC(C)(C)C1
InChIInChI=1S/C15H24N2/c1-13-7-4-5-8-14(13)17-10-6-9-16-11-15(2,3)12-17/h4-5,7-8,16H,6,9-12H2,1-3H3
InChIKeyGIVUPQBGSOJIER-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(aminomethyl)-1-(2-methylphenyl)piperidin-3-ol
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1-(2-methylphenyl)-1,4-diazepan-2-one
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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methylphenyl)-1,5-diazocane?
The IUPAC name of 3,3-dimethyl-1-(2-methylphenyl)-1,5-diazocane (CID 117014530) is 3,3-dimethyl-1-(2-methylphenyl)-1,5-diazocane.
What is the SMILES notation for 3,3-dimethyl-1-(2-methylphenyl)-1,5-diazocane?
The canonical SMILES for 3,3-dimethyl-1-(2-methylphenyl)-1,5-diazocane is Cc1ccccc1N1CCCNCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(2-methylphenyl)-1,5-diazocane?
The InChIKey is GIVUPQBGSOJIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-7-4-5-8-14(13)17-10-6-9-16-11-15(2,3)12-17/h4-5,7-8,16H,6,9-12H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(2-methylphenyl)-1,5-diazocane?
3,3-dimethyl-1-(2-methylphenyl)-1,5-diazocane has a molecular weight of 232.37 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methylphenyl)-1,5-diazocane is sourced from PubChem (CID 117014530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).