ethane;(3Z)-3-ethylidene-N,5,6-trimethylpyridin-2-imine

C12H20N2 — CID 143716493

IUPACethane;(3Z)-3-ethylidene-N,5,6-trimethylpyridin-2-imine
SMILESC/C=C1/C=C(C)C(C)=N/C1=N\C.CC
InChIInChI=1S/C10H14N2.C2H6/c1-5-9-6-7(2)8(3)12-10(9)11-4;1-2/h5-6H,1-4H3;1-2H3/b9-5-,11-10-;
InChIKeyVBICWQRMRDVREW-VGDSCVMISA-N
MW192.31 g/mol
LogP3.41
Rot. Bonds

About ethane;(3Z)-3-ethylidene-N,5,6-trimethylpyridin-2-imine

ethane;(3Z)-3-ethylidene-N,5,6-trimethylpyridin-2-imine (PubChem CID 143716493) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is ethane;(3Z)-3-ethylidene-N,5,6-trimethylpyridin-2-imine.

Molecular Properties

Compound Nameethane;(3Z)-3-ethylidene-N,5,6-trimethylpyridin-2-imine
PubChem CID143716493
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Nameethane;(3Z)-3-ethylidene-N,5,6-trimethylpyridin-2-imine
SMILESC/C=C1/C=C(C)C(C)=N/C1=N\C.CC
InChIInChI=1S/C10H14N2.C2H6/c1-5-9-6-7(2)8(3)12-10(9)11-4;1-2/h5-6H,1-4H3;1-2H3/b9-5-,11-10-;
InChIKeyVBICWQRMRDVREW-VGDSCVMISA-N
XLogP3.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide
CID 170031327
(3Z)-3-ethylidene-N-methylpyridin-2-imine
CID 68010675
2,5-dimethyl-3aH-benzimidazole
CID 90463802
N-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide
CID 90718255
6-Methyl-5-methylidene-2,3-dihydropyrrolo[2,3-b]pyridine
CID 90820746
(3Z)-3-ethylidene-N,4,5,6-tetramethylpyridin-2-imine
CID 117655581
(2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide
CID 123348002
(5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine
CID 126516413
2-Methyl-3,8-dihydropyrido[2,3-b][1,8]naphthyridine
CID 129067763
N'-methyl-N-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide
CID 129181531
N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide
CID 129275588
N-(4-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylethanimidamide
CID 129296896

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-3-ethylidene-N,5,6-trimethylpyridin-2-imine?
The IUPAC name of ethane;(3Z)-3-ethylidene-N,5,6-trimethylpyridin-2-imine (CID 143716493) is ethane;(3Z)-3-ethylidene-N,5,6-trimethylpyridin-2-imine.
What is the SMILES notation for ethane;(3Z)-3-ethylidene-N,5,6-trimethylpyridin-2-imine?
The canonical SMILES for ethane;(3Z)-3-ethylidene-N,5,6-trimethylpyridin-2-imine is C/C=C1/C=C(C)C(C)=N/C1=N\C.CC.
What is the InChIKey of ethane;(3Z)-3-ethylidene-N,5,6-trimethylpyridin-2-imine?
The InChIKey is VBICWQRMRDVREW-VGDSCVMISA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-5-9-6-7(2)8(3)12-10(9)11-4;1-2/h5-6H,1-4H3;1-2H3/b9-5-,11-10-;.
What are the key properties of ethane;(3Z)-3-ethylidene-N,5,6-trimethylpyridin-2-imine?
ethane;(3Z)-3-ethylidene-N,5,6-trimethylpyridin-2-imine has a molecular weight of 192.31 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-3-ethylidene-N,5,6-trimethylpyridin-2-imine is sourced from PubChem (CID 143716493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).