2,5,5,7-tetramethylazocane

C11H23N — CID 142415474

IUPAC2,5,5,7-tetramethylazocane
SMILESCC1CNC(C)CCC(C)(C)C1
InChIInChI=1S/C11H23N/c1-9-7-11(3,4)6-5-10(2)12-8-9/h9-10,12H,5-8H2,1-4H3
InChIKeyMDLWQAZTHXXYSZ-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds

About 2,5,5,7-tetramethylazocane

2,5,5,7-tetramethylazocane (PubChem CID 142415474) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2,5,5,7-tetramethylazocane.

Molecular Properties

Compound Name2,5,5,7-tetramethylazocane
PubChem CID142415474
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2,5,5,7-tetramethylazocane
SMILESCC1CNC(C)CCC(C)(C)C1
InChIInChI=1S/C11H23N/c1-9-7-11(3,4)6-5-10(2)12-8-9/h9-10,12H,5-8H2,1-4H3
InChIKeyMDLWQAZTHXXYSZ-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 66594946
cobalt;1,1,3-trimethylcyclohexane
CID 70372264
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
1,1,3-trimethylcyclobutane
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1,1,3-trimethyl-5-propan-2-ylcycloheptane
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(6S)-2,2,4,4,6-pentamethylazepane
CID 167029164
(2R,5S)-5-methyl-2-(1-methylcyclopropyl)piperidine
CID 169115095
(5S)-2,5-dimethyl-1,4-diazepane
CID 143410890
6-methyl-5-azaspiro[2.5]octane;hydrochloride
CID 178127379
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095

Frequently Asked Questions

What is the IUPAC name of 2,5,5,7-tetramethylazocane?
The IUPAC name of 2,5,5,7-tetramethylazocane (CID 142415474) is 2,5,5,7-tetramethylazocane.
What is the SMILES notation for 2,5,5,7-tetramethylazocane?
The canonical SMILES for 2,5,5,7-tetramethylazocane is CC1CNC(C)CCC(C)(C)C1.
What is the InChIKey of 2,5,5,7-tetramethylazocane?
The InChIKey is MDLWQAZTHXXYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-9-7-11(3,4)6-5-10(2)12-8-9/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2,5,5,7-tetramethylazocane?
2,5,5,7-tetramethylazocane has a molecular weight of 169.31 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,7-tetramethylazocane is sourced from PubChem (CID 142415474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).