(2Z)-N'-ethyl-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)ethanimidamide

C12H19N3 — CID 144559472

IUPAC(2Z)-N'-ethyl-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)ethanimidamide
SMILESCC/N=C(N)/C=C1/C=C(C)C=C(CC)N1
InChIInChI=1S/C12H19N3/c1-4-10-6-9(3)7-11(15-10)8-12(13)14-5-2/h6-8,15H,4-5H2,1-3H3,(H2,13,14)/b11-8-
InChIKeyLNZMTZXSULYFED-FLIBITNWSA-N
MW205.30 g/mol
LogP2.09
Rot. Bonds3

About (2Z)-N'-ethyl-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)ethanimidamide

(2Z)-N'-ethyl-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)ethanimidamide (PubChem CID 144559472) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (2Z)-N'-ethyl-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)ethanimidamide.

Molecular Properties

Compound Name(2Z)-N'-ethyl-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)ethanimidamide
PubChem CID144559472
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name(2Z)-N'-ethyl-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)ethanimidamide
SMILESCC/N=C(N)/C=C1/C=C(C)C=C(CC)N1
InChIInChI=1S/C12H19N3/c1-4-10-6-9(3)7-11(15-10)8-12(13)14-5-2/h6-8,15H,4-5H2,1-3H3,(H2,13,14)/b11-8-
InChIKeyLNZMTZXSULYFED-FLIBITNWSA-N
XLogP2.09
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 142309044
2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89000850
2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89230064
6-ethenyl-3-methylidene-5-N-propan-2-ylazepine-2,5-diamine
CID 90126466
2-But-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine
CID 90865640
6-But-1-enyl-2,4-dimethyl-1,4-dihydropyrimidine
CID 91498996
N-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-2-pyridinyl]-2,3-dihydropyrazin-5-amine
CID 117813789
N-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-3-pyridinyl]-2,3-dihydropyrazin-5-amine
CID 117813887
2,6-Dimethyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 123595612
(5Z,6E)-5-(dimethylaminomethylidene)-6-ethylidenepyridin-2-amine
CID 129301168
N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide
CID 130179060
(5Z,6E)-5,6-di(ethylidene)pyridin-2-amine
CID 130466666

Frequently Asked Questions

What is the IUPAC name of (2Z)-N'-ethyl-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)ethanimidamide?
The IUPAC name of (2Z)-N'-ethyl-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)ethanimidamide (CID 144559472) is (2Z)-N'-ethyl-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)ethanimidamide.
What is the SMILES notation for (2Z)-N'-ethyl-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)ethanimidamide?
The canonical SMILES for (2Z)-N'-ethyl-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)ethanimidamide is CC/N=C(N)/C=C1/C=C(C)C=C(CC)N1.
What is the InChIKey of (2Z)-N'-ethyl-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)ethanimidamide?
The InChIKey is LNZMTZXSULYFED-FLIBITNWSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-10-6-9(3)7-11(15-10)8-12(13)14-5-2/h6-8,15H,4-5H2,1-3H3,(H2,13,14)/b11-8-.
What are the key properties of (2Z)-N'-ethyl-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)ethanimidamide?
(2Z)-N'-ethyl-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)ethanimidamide has a molecular weight of 205.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N'-ethyl-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)ethanimidamide is sourced from PubChem (CID 144559472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).