2,10-dimethylazecine

C11H13N — CID 126659012

IUPAC2,10-dimethylazecine
SMILESCc1cccccccc(C)n1
InChIInChI=1S/C11H13N/c1-10-8-6-4-3-5-7-9-11(2)12-10/h3-9H,1-2H3/b4-3-,5-3+,6-4-,7-5+,8-6-,9-7-,10-8+,11-9-,12-10+,12-11-
InChIKeySGZUGQUQNPHLAF-HWMFZYLESA-N
MW159.23 g/mol
LogP2.82
Rot. Bonds

About 2,10-dimethylazecine

2,10-dimethylazecine (PubChem CID 126659012) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2,10-dimethylazecine.

Molecular Properties

Compound Name2,10-dimethylazecine
PubChem CID126659012
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2,10-dimethylazecine
SMILESCc1cccccccc(C)n1
InChIInChI=1S/C11H13N/c1-10-8-6-4-3-5-7-9-11(2)12-10/h3-9H,1-2H3/b4-3-,5-3+,6-4-,7-5+,8-6-,9-7-,10-8+,11-9-,12-10+,12-11-
InChIKeySGZUGQUQNPHLAF-HWMFZYLESA-N
XLogP2.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,10-dimethylazecine?
The IUPAC name of 2,10-dimethylazecine (CID 126659012) is 2,10-dimethylazecine.
What is the SMILES notation for 2,10-dimethylazecine?
The canonical SMILES for 2,10-dimethylazecine is Cc1cccccccc(C)n1.
What is the InChIKey of 2,10-dimethylazecine?
The InChIKey is SGZUGQUQNPHLAF-HWMFZYLESA-N. The full InChI is InChI=1S/C11H13N/c1-10-8-6-4-3-5-7-9-11(2)12-10/h3-9H,1-2H3/b4-3-,5-3+,6-4-,7-5+,8-6-,9-7-,10-8+,11-9-,12-10+,12-11-.
What are the key properties of 2,10-dimethylazecine?
2,10-dimethylazecine has a molecular weight of 159.23 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dimethylazecine is sourced from PubChem (CID 126659012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).