N-[3-methyl-4-methylidene-1-(methylideneamino)inden-2-yl]ethanimine

C14H14N2 — CID 139435854

IUPACN-[3-methyl-4-methylidene-1-(methylideneamino)inden-2-yl]ethanimine
SMILESC=NC1=C(/N=C/C)C(C)=c2c1cccc2=C
InChIInChI=1S/C14H14N2/c1-5-16-13-10(3)12-9(2)7-6-8-11(12)14(13)15-4/h5-8H,2,4H2,1,3H3/b16-5+
InChIKeyZVGSMIRVKSVINI-FZSIALSZSA-N
MW210.28 g/mol
LogP1.74
Rot. Bonds2

About N-[3-methyl-4-methylidene-1-(methylideneamino)inden-2-yl]ethanimine

N-[3-methyl-4-methylidene-1-(methylideneamino)inden-2-yl]ethanimine (PubChem CID 139435854) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[3-methyl-4-methylidene-1-(methylideneamino)inden-2-yl]ethanimine.

Molecular Properties

Compound NameN-[3-methyl-4-methylidene-1-(methylideneamino)inden-2-yl]ethanimine
PubChem CID139435854
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC NameN-[3-methyl-4-methylidene-1-(methylideneamino)inden-2-yl]ethanimine
SMILESC=NC1=C(/N=C/C)C(C)=c2c1cccc2=C
InChIInChI=1S/C14H14N2/c1-5-16-13-10(3)12-9(2)7-6-8-11(12)14(13)15-4/h5-8H,2,4H2,1,3H3/b16-5+
InChIKeyZVGSMIRVKSVINI-FZSIALSZSA-N
XLogP1.74
TPSA24.72 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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[3-methyl-4-methylidene-1-(methylideneamino)inden-2-yl]ethanimine?
The IUPAC name of N-[3-methyl-4-methylidene-1-(methylideneamino)inden-2-yl]ethanimine (CID 139435854) is N-[3-methyl-4-methylidene-1-(methylideneamino)inden-2-yl]ethanimine.
What is the SMILES notation for N-[3-methyl-4-methylidene-1-(methylideneamino)inden-2-yl]ethanimine?
The canonical SMILES for N-[3-methyl-4-methylidene-1-(methylideneamino)inden-2-yl]ethanimine is C=NC1=C(/N=C/C)C(C)=c2c1cccc2=C.
What is the InChIKey of N-[3-methyl-4-methylidene-1-(methylideneamino)inden-2-yl]ethanimine?
The InChIKey is ZVGSMIRVKSVINI-FZSIALSZSA-N. The full InChI is InChI=1S/C14H14N2/c1-5-16-13-10(3)12-9(2)7-6-8-11(12)14(13)15-4/h5-8H,2,4H2,1,3H3/b16-5+.
What are the key properties of N-[3-methyl-4-methylidene-1-(methylideneamino)inden-2-yl]ethanimine?
N-[3-methyl-4-methylidene-1-(methylideneamino)inden-2-yl]ethanimine has a molecular weight of 210.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-methylidene-1-(methylideneamino)inden-2-yl]ethanimine is sourced from PubChem (CID 139435854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).