ethane;2,7,9-trimethylazecine

C14H21N — CID 145048152

IUPACethane;2,7,9-trimethylazecine
SMILESCC.Cc1ccccc(C)ncc(C)c1
InChIInChI=1S/C12H15N.C2H6/c1-10-6-4-5-7-12(3)13-9-11(2)8-10;1-2/h4-9H,1-3H3;1-2H3/b5-4-,6-4-,7-5-,10-6+,10-8+,11-8-,11-9-,12-7+,13-9-,13-12+;
InChIKeyJZISDWZZKFUSLU-ANRFECQTSA-N
MW203.33 g/mol
LogP4.16
Rot. Bonds

About ethane;2,7,9-trimethylazecine

ethane;2,7,9-trimethylazecine (PubChem CID 145048152) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is ethane;2,7,9-trimethylazecine.

Molecular Properties

Compound Nameethane;2,7,9-trimethylazecine
PubChem CID145048152
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Nameethane;2,7,9-trimethylazecine
SMILESCC.Cc1ccccc(C)ncc(C)c1
InChIInChI=1S/C12H15N.C2H6/c1-10-6-4-5-7-12(3)13-9-11(2)8-10;1-2/h4-9H,1-3H3;1-2H3/b5-4-,6-4-,7-5-,10-6+,10-8+,11-8-,11-9-,12-7+,13-9-,13-12+;
InChIKeyJZISDWZZKFUSLU-ANRFECQTSA-N
XLogP4.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene
CID 159876086
2,5,9-trimethylazecine
CID 144887910
ethane;1,3-xylene
CID 54570178
bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene
CID 158263629
ethane;2-methylpyridine;toluene
CID 143164268
2,4-dimethylpyridine;ethane;2-methylpyridine
CID 143179513
bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene
CID 163474708
ethane;methane;1,3-xylene
CID 145463381
2,6-dimethylpyridine;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene
CID 143940909
ethane;1,3-xylene;1,4-xylene
CID 145425556
ethane;methanol;1,3-xylene
CID 156743127
CID 161195002
CID 161195002

Frequently Asked Questions

What is the IUPAC name of ethane;2,7,9-trimethylazecine?
The IUPAC name of ethane;2,7,9-trimethylazecine (CID 145048152) is ethane;2,7,9-trimethylazecine.
What is the SMILES notation for ethane;2,7,9-trimethylazecine?
The canonical SMILES for ethane;2,7,9-trimethylazecine is CC.Cc1ccccc(C)ncc(C)c1.
What is the InChIKey of ethane;2,7,9-trimethylazecine?
The InChIKey is JZISDWZZKFUSLU-ANRFECQTSA-N. The full InChI is InChI=1S/C12H15N.C2H6/c1-10-6-4-5-7-12(3)13-9-11(2)8-10;1-2/h4-9H,1-3H3;1-2H3/b5-4-,6-4-,7-5-,10-6+,10-8+,11-8-,11-9-,12-7+,13-9-,13-12+;.
What are the key properties of ethane;2,7,9-trimethylazecine?
ethane;2,7,9-trimethylazecine has a molecular weight of 203.33 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,7,9-trimethylazecine is sourced from PubChem (CID 145048152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).