2,9-dimethyl-1H-azonine

C10H13N — CID 130413615

IUPAC2,9-dimethyl-1H-azonine
SMILESCc1ccccccc(C)[nH]1
InChIInChI=1S/C10H13N/c1-9-7-5-3-4-6-8-10(2)11-9/h3-8,11H,1-2H3/b5-3-,6-4-,9-7-,10-8-
InChIKeySWQQGWROIUWFFF-RSIYVSQUSA-N
MW147.22 g/mol
LogP2.76
Rot. Bonds

About 2,9-dimethyl-1H-azonine

2,9-dimethyl-1H-azonine (PubChem CID 130413615) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2,9-dimethyl-1H-azonine.

Molecular Properties

Compound Name2,9-dimethyl-1H-azonine
PubChem CID130413615
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2,9-dimethyl-1H-azonine
SMILESCc1ccccccc(C)[nH]1
InChIInChI=1S/C10H13N/c1-9-7-5-3-4-6-8-10(2)11-9/h3-8,11H,1-2H3/b5-3-,6-4-,9-7-,10-8-
InChIKeySWQQGWROIUWFFF-RSIYVSQUSA-N
XLogP2.76
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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2,6-Diethyl-pyridine
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2-Butyl-6-methylpyridine
CID 219541
1H-Pyrrole, 3-ethyl-2,5-dimethyl-
CID 522355
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6-Methyl-2-pentylpyridine
CID 219542
2-(6-Methylpyridin-2-yl)ethan-1-amine
CID 1514165
Pyrrole-2,5-diacetonitrile
CID 281648

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-1H-azonine?
The IUPAC name of 2,9-dimethyl-1H-azonine (CID 130413615) is 2,9-dimethyl-1H-azonine.
What is the SMILES notation for 2,9-dimethyl-1H-azonine?
The canonical SMILES for 2,9-dimethyl-1H-azonine is Cc1ccccccc(C)[nH]1.
What is the InChIKey of 2,9-dimethyl-1H-azonine?
The InChIKey is SWQQGWROIUWFFF-RSIYVSQUSA-N. The full InChI is InChI=1S/C10H13N/c1-9-7-5-3-4-6-8-10(2)11-9/h3-8,11H,1-2H3/b5-3-,6-4-,9-7-,10-8-.
What are the key properties of 2,9-dimethyl-1H-azonine?
2,9-dimethyl-1H-azonine has a molecular weight of 147.22 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-1H-azonine is sourced from PubChem (CID 130413615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).