6-methyl-2-(pyridin-2-ylmethylidene)azepane

C13H18N2 — CID 165355645

IUPAC6-methyl-2-(pyridin-2-ylmethylidene)azepane
SMILESCC1CCCC(=Cc2ccccn2)NC1
InChIInChI=1S/C13H18N2/c1-11-5-4-7-13(15-10-11)9-12-6-2-3-8-14-12/h2-3,6,8-9,11,15H,4-5,7,10H2,1H3
InChIKeyMSHNXRXMDVZNOY-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.83
Rot. Bonds1

About 6-methyl-2-(pyridin-2-ylmethylidene)azepane

6-methyl-2-(pyridin-2-ylmethylidene)azepane (PubChem CID 165355645) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 6-methyl-2-(pyridin-2-ylmethylidene)azepane.

Molecular Properties

Compound Name6-methyl-2-(pyridin-2-ylmethylidene)azepane
PubChem CID165355645
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name6-methyl-2-(pyridin-2-ylmethylidene)azepane
SMILESCC1CCCC(=Cc2ccccn2)NC1
InChIInChI=1S/C13H18N2/c1-11-5-4-7-13(15-10-11)9-12-6-2-3-8-14-12/h2-3,6,8-9,11,15H,4-5,7,10H2,1H3
InChIKeyMSHNXRXMDVZNOY-UHFFFAOYSA-N
XLogP2.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(pyridin-2-ylmethylidene)azepane?
The IUPAC name of 6-methyl-2-(pyridin-2-ylmethylidene)azepane (CID 165355645) is 6-methyl-2-(pyridin-2-ylmethylidene)azepane.
What is the SMILES notation for 6-methyl-2-(pyridin-2-ylmethylidene)azepane?
The canonical SMILES for 6-methyl-2-(pyridin-2-ylmethylidene)azepane is CC1CCCC(=Cc2ccccn2)NC1.
What is the InChIKey of 6-methyl-2-(pyridin-2-ylmethylidene)azepane?
The InChIKey is MSHNXRXMDVZNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-11-5-4-7-13(15-10-11)9-12-6-2-3-8-14-12/h2-3,6,8-9,11,15H,4-5,7,10H2,1H3.
What are the key properties of 6-methyl-2-(pyridin-2-ylmethylidene)azepane?
6-methyl-2-(pyridin-2-ylmethylidene)azepane has a molecular weight of 202.30 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(pyridin-2-ylmethylidene)azepane is sourced from PubChem (CID 165355645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).