1-(7-ethenyl-4-methyl-5-methylidenecyclopenta[b]pyridin-6-yl)-N-methylmethanimine

C14H14N2 — CID 139436251

IUPAC1-(7-ethenyl-4-methyl-5-methylidenecyclopenta[b]pyridin-6-yl)-N-methylmethanimine
SMILESC=CC1=C(/C=N/C)C(=C)c2c(C)ccnc21
InChIInChI=1S/C14H14N2/c1-5-11-12(8-15-4)10(3)13-9(2)6-7-16-14(11)13/h5-8H,1,3H2,2,4H3/b15-8+
InChIKeyAIYZEUJNSOAZSI-OVCLIPMQSA-N
MW210.28 g/mol
LogP3.06
Rot. Bonds2

About 1-(7-ethenyl-4-methyl-5-methylidenecyclopenta[b]pyridin-6-yl)-N-methylmethanimine

1-(7-ethenyl-4-methyl-5-methylidenecyclopenta[b]pyridin-6-yl)-N-methylmethanimine (PubChem CID 139436251) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(7-ethenyl-4-methyl-5-methylidenecyclopenta[b]pyridin-6-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(7-ethenyl-4-methyl-5-methylidenecyclopenta[b]pyridin-6-yl)-N-methylmethanimine
PubChem CID139436251
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name1-(7-ethenyl-4-methyl-5-methylidenecyclopenta[b]pyridin-6-yl)-N-methylmethanimine
SMILESC=CC1=C(/C=N/C)C(=C)c2c(C)ccnc21
InChIInChI=1S/C14H14N2/c1-5-11-12(8-15-4)10(3)13-9(2)6-7-16-14(11)13/h5-8H,1,3H2,2,4H3/b15-8+
InChIKeyAIYZEUJNSOAZSI-OVCLIPMQSA-N
XLogP3.06
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Nicotine
CID 89594
Paraquat dichloride
CID 15938
Ethionamide
CID 2761171
Triprolidine
CID 5282443
3-Methylpyridine
CID 7970
(+-)-Dimethindene
CID 21855
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
Pheniramine
CID 4761
Prothionamide
CID 666418
4-Vinylpyridine
CID 7502

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethenyl-4-methyl-5-methylidenecyclopenta[b]pyridin-6-yl)-N-methylmethanimine?
The IUPAC name of 1-(7-ethenyl-4-methyl-5-methylidenecyclopenta[b]pyridin-6-yl)-N-methylmethanimine (CID 139436251) is 1-(7-ethenyl-4-methyl-5-methylidenecyclopenta[b]pyridin-6-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(7-ethenyl-4-methyl-5-methylidenecyclopenta[b]pyridin-6-yl)-N-methylmethanimine?
The canonical SMILES for 1-(7-ethenyl-4-methyl-5-methylidenecyclopenta[b]pyridin-6-yl)-N-methylmethanimine is C=CC1=C(/C=N/C)C(=C)c2c(C)ccnc21.
What is the InChIKey of 1-(7-ethenyl-4-methyl-5-methylidenecyclopenta[b]pyridin-6-yl)-N-methylmethanimine?
The InChIKey is AIYZEUJNSOAZSI-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H14N2/c1-5-11-12(8-15-4)10(3)13-9(2)6-7-16-14(11)13/h5-8H,1,3H2,2,4H3/b15-8+.
What are the key properties of 1-(7-ethenyl-4-methyl-5-methylidenecyclopenta[b]pyridin-6-yl)-N-methylmethanimine?
1-(7-ethenyl-4-methyl-5-methylidenecyclopenta[b]pyridin-6-yl)-N-methylmethanimine has a molecular weight of 210.28 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethenyl-4-methyl-5-methylidenecyclopenta[b]pyridin-6-yl)-N-methylmethanimine is sourced from PubChem (CID 139436251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).