1,6,6-trimethylazecane

C12H25N — CID 137411495

IUPAC1,6,6-trimethylazecane
SMILESCN1CCCCC(C)(C)CCCC1
InChIInChI=1S/C12H25N/c1-12(2)8-4-6-10-13(3)11-7-5-9-12/h4-11H2,1-3H3
InChIKeyXLFHAMIVIPZHBI-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds

About 1,6,6-trimethylazecane

1,6,6-trimethylazecane (PubChem CID 137411495) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1,6,6-trimethylazecane.

Molecular Properties

Compound Name1,6,6-trimethylazecane
PubChem CID137411495
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1,6,6-trimethylazecane
SMILESCN1CCCCC(C)(C)CCCC1
InChIInChI=1S/C12H25N/c1-12(2)8-4-6-10-13(3)11-7-5-9-12/h4-11H2,1-3H3
InChIKeyXLFHAMIVIPZHBI-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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1,1-dimethylcyclononane
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ethane;bis(1-methylpyrrolidine)
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CID 172772830
CID 172772830
1-methylpiperidine
CID 90254979
methanethiol;1,4,4-trimethylpiperidine
CID 178113124

Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethylazecane?
The IUPAC name of 1,6,6-trimethylazecane (CID 137411495) is 1,6,6-trimethylazecane.
What is the SMILES notation for 1,6,6-trimethylazecane?
The canonical SMILES for 1,6,6-trimethylazecane is CN1CCCCC(C)(C)CCCC1.
What is the InChIKey of 1,6,6-trimethylazecane?
The InChIKey is XLFHAMIVIPZHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-12(2)8-4-6-10-13(3)11-7-5-9-12/h4-11H2,1-3H3.
What are the key properties of 1,6,6-trimethylazecane?
1,6,6-trimethylazecane 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 1,6,6-trimethylazecane is sourced from PubChem (CID 137411495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).