1,4-dimethyl-azacycloundecane

C12H25N — CID 89347639

IUPAC1,4-dimethyl-azacycloundecane
SMILESCC1CCCCCCCN(C)CC1
InChIInChI=1S/C12H25N/c1-12-8-6-4-3-5-7-10-13(2)11-9-12/h12H,3-11H2,1-2H3
InChIKeyOZMLYANDHSLBMZ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds

About 1,4-dimethyl-azacycloundecane

1,4-dimethyl-azacycloundecane (PubChem CID 89347639) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1,4-dimethyl-azacycloundecane.

Molecular Properties

Compound Name1,4-dimethyl-azacycloundecane
PubChem CID89347639
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1,4-dimethyl-azacycloundecane
SMILESCC1CCCCCCCN(C)CC1
InChIInChI=1S/C12H25N/c1-12-8-6-4-3-5-7-10-13(2)11-9-12/h12H,3-11H2,1-2H3
InChIKeyOZMLYANDHSLBMZ-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1,5,8,11-tetramethyl-1,5-diazacyclotridecane
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1,4-dimethylpiperidine;methane;methylcyclohexane;1-methylpiperidine;propane;1-propylazepane;bis(1-propylpiperidine)
CID 160949305
1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine
CID 161233752
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CID 158607105
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-azacycloundecane?
The IUPAC name of 1,4-dimethyl-azacycloundecane (CID 89347639) is 1,4-dimethyl-azacycloundecane.
What is the SMILES notation for 1,4-dimethyl-azacycloundecane?
The canonical SMILES for 1,4-dimethyl-azacycloundecane is CC1CCCCCCCN(C)CC1.
What is the InChIKey of 1,4-dimethyl-azacycloundecane?
The InChIKey is OZMLYANDHSLBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-12-8-6-4-3-5-7-10-13(2)11-9-12/h12H,3-11H2,1-2H3.
What are the key properties of 1,4-dimethyl-azacycloundecane?
1,4-dimethyl-azacycloundecane has a molecular weight of 183.34 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-azacycloundecane is sourced from PubChem (CID 89347639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).