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

C13H18N2 — CID 91988420

IUPAC5-methyl-2-(pyridin-2-ylmethylidene)azepane
SMILESCC1CCNC(=Cc2ccccn2)CC1
InChIInChI=1S/C13H18N2/c1-11-5-6-13(15-9-7-11)10-12-4-2-3-8-14-12/h2-4,8,10-11,15H,5-7,9H2,1H3
InChIKeyRLGFQVQMTLGJSY-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.83
Rot. Bonds1

About 5-methyl-2-(pyridin-2-ylmethylidene)azepane

5-methyl-2-(pyridin-2-ylmethylidene)azepane (PubChem CID 91988420) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-methyl-2-(pyridin-2-ylmethylidene)azepane.

Molecular Properties

Compound Name5-methyl-2-(pyridin-2-ylmethylidene)azepane
PubChem CID91988420
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5-methyl-2-(pyridin-2-ylmethylidene)azepane
SMILESCC1CCNC(=Cc2ccccn2)CC1
InChIInChI=1S/C13H18N2/c1-11-5-6-13(15-9-7-11)10-12-4-2-3-8-14-12/h2-4,8,10-11,15H,5-7,9H2,1H3
InChIKeyRLGFQVQMTLGJSY-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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Related Compounds

6-methyl-2-(pyridin-2-ylmethylidene)azepane
CID 165355645
2-[(Z)-piperidin-2-ylidenemethyl]pyridine
CID 19922854
(3E)-3-(pyridin-2-ylmethylidene)piperidin-2-one
CID 141437011
3-(pyridin-2-ylmethylidene)piperidin-4-one
CID 90686045
(3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde
CID 175378796
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
cis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine
CID 122530328
1,7,7-trimethyl-3-(pyridin-2-ylmethylidene)bicyclo[2.2.1]heptan-2-one
CID 54284598
N-tert-butyl-1-pyridin-2-ylmethanimine
CID 11389570
1-bromo-6-methyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117248475
(4E)-2-cyclobutyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
CID 136893231
N-methylcyclohexanamine;pyridine-2-carbaldehyde
CID 153367547

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(pyridin-2-ylmethylidene)azepane?
The IUPAC name of 5-methyl-2-(pyridin-2-ylmethylidene)azepane (CID 91988420) is 5-methyl-2-(pyridin-2-ylmethylidene)azepane.
What is the SMILES notation for 5-methyl-2-(pyridin-2-ylmethylidene)azepane?
The canonical SMILES for 5-methyl-2-(pyridin-2-ylmethylidene)azepane is CC1CCNC(=Cc2ccccn2)CC1.
What is the InChIKey of 5-methyl-2-(pyridin-2-ylmethylidene)azepane?
The InChIKey is RLGFQVQMTLGJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-11-5-6-13(15-9-7-11)10-12-4-2-3-8-14-12/h2-4,8,10-11,15H,5-7,9H2,1H3.
What are the key properties of 5-methyl-2-(pyridin-2-ylmethylidene)azepane?
5-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 5-methyl-2-(pyridin-2-ylmethylidene)azepane is sourced from PubChem (CID 91988420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).