N-[5-methyl-4-methylidene-7-(methylideneamino)cyclopenta[b]pyridin-6-yl]ethanimine

C13H13N3 — CID 139435890

IUPACN-[5-methyl-4-methylidene-7-(methylideneamino)cyclopenta[b]pyridin-6-yl]ethanimine
SMILESC=NC1=C(/N=C/C)C(C)=c2c1nccc2=C
InChIInChI=1S/C13H13N3/c1-5-15-11-9(3)10-8(2)6-7-16-12(10)13(11)14-4/h5-7H,2,4H2,1,3H3/b15-5+
InChIKeyWQNWQZYPCLCCMY-PJQLUOCWSA-N
MW211.27 g/mol
LogP1.14
Rot. Bonds2

About N-[5-methyl-4-methylidene-7-(methylideneamino)cyclopenta[b]pyridin-6-yl]ethanimine

N-[5-methyl-4-methylidene-7-(methylideneamino)cyclopenta[b]pyridin-6-yl]ethanimine (PubChem CID 139435890) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is N-[5-methyl-4-methylidene-7-(methylideneamino)cyclopenta[b]pyridin-6-yl]ethanimine.

Molecular Properties

Compound NameN-[5-methyl-4-methylidene-7-(methylideneamino)cyclopenta[b]pyridin-6-yl]ethanimine
PubChem CID139435890
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC NameN-[5-methyl-4-methylidene-7-(methylideneamino)cyclopenta[b]pyridin-6-yl]ethanimine
SMILESC=NC1=C(/N=C/C)C(C)=c2c1nccc2=C
InChIInChI=1S/C13H13N3/c1-5-15-11-9(3)10-8(2)6-7-16-12(10)13(11)14-4/h5-7H,2,4H2,1,3H3/b15-5+
InChIKeyWQNWQZYPCLCCMY-PJQLUOCWSA-N
XLogP1.14
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-methylidene-7-(methylideneamino)cyclopenta[b]pyridin-6-yl]ethanimine?
The IUPAC name of N-[5-methyl-4-methylidene-7-(methylideneamino)cyclopenta[b]pyridin-6-yl]ethanimine (CID 139435890) is N-[5-methyl-4-methylidene-7-(methylideneamino)cyclopenta[b]pyridin-6-yl]ethanimine.
What is the SMILES notation for N-[5-methyl-4-methylidene-7-(methylideneamino)cyclopenta[b]pyridin-6-yl]ethanimine?
The canonical SMILES for N-[5-methyl-4-methylidene-7-(methylideneamino)cyclopenta[b]pyridin-6-yl]ethanimine is C=NC1=C(/N=C/C)C(C)=c2c1nccc2=C.
What is the InChIKey of N-[5-methyl-4-methylidene-7-(methylideneamino)cyclopenta[b]pyridin-6-yl]ethanimine?
The InChIKey is WQNWQZYPCLCCMY-PJQLUOCWSA-N. The full InChI is InChI=1S/C13H13N3/c1-5-15-11-9(3)10-8(2)6-7-16-12(10)13(11)14-4/h5-7H,2,4H2,1,3H3/b15-5+.
What are the key properties of N-[5-methyl-4-methylidene-7-(methylideneamino)cyclopenta[b]pyridin-6-yl]ethanimine?
N-[5-methyl-4-methylidene-7-(methylideneamino)cyclopenta[b]pyridin-6-yl]ethanimine has a molecular weight of 211.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-methylidene-7-(methylideneamino)cyclopenta[b]pyridin-6-yl]ethanimine is sourced from PubChem (CID 139435890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).