N'-methyl-N-[(Z)-2-methyl-1-pyridin-2-ylbut-1-enyl]iminomethanimidamide

C12H16N4 — CID 146506890

IUPACN'-methyl-N-[(Z)-2-methyl-1-pyridin-2-ylbut-1-enyl]iminomethanimidamide
SMILESCC/C(C)=C(\N=N\C=N\C)c1ccccn1
InChIInChI=1S/C12H16N4/c1-4-10(2)12(16-15-9-13-3)11-7-5-6-8-14-11/h5-9H,4H2,1-3H3/b12-10-,13-9+,16-15+
InChIKeyGOKMMOBQYXTFML-TZBUMBODSA-N
MW216.29 g/mol
LogP3.33
Rot. Bonds4

About N'-methyl-N-[(Z)-2-methyl-1-pyridin-2-ylbut-1-enyl]iminomethanimidamide

N'-methyl-N-[(Z)-2-methyl-1-pyridin-2-ylbut-1-enyl]iminomethanimidamide (PubChem CID 146506890) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N'-methyl-N-[(Z)-2-methyl-1-pyridin-2-ylbut-1-enyl]iminomethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(Z)-2-methyl-1-pyridin-2-ylbut-1-enyl]iminomethanimidamide
PubChem CID146506890
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN'-methyl-N-[(Z)-2-methyl-1-pyridin-2-ylbut-1-enyl]iminomethanimidamide
SMILESCC/C(C)=C(\N=N\C=N\C)c1ccccn1
InChIInChI=1S/C12H16N4/c1-4-10(2)12(16-15-9-13-3)11-7-5-6-8-14-11/h5-9H,4H2,1-3H3/b12-10-,13-9+,16-15+
InChIKeyGOKMMOBQYXTFML-TZBUMBODSA-N
XLogP3.33
TPSA49.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine
CID 142517601
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
2-[(Z)-pent-2-en-2-yl]pyridine
CID 45079825
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
1-pyridin-2-ylethanethione
CID 89010255
(E)-2-pyridin-2-ylprop-1-en-1-amine
CID 22861961
1,3-dipyridin-2-ylpent-2-en-1-one
CID 91328700
N-butyl-1-pyridin-2-ylethanimine
CID 583773
ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine
CID 145320713

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(Z)-2-methyl-1-pyridin-2-ylbut-1-enyl]iminomethanimidamide?
The IUPAC name of N'-methyl-N-[(Z)-2-methyl-1-pyridin-2-ylbut-1-enyl]iminomethanimidamide (CID 146506890) is N'-methyl-N-[(Z)-2-methyl-1-pyridin-2-ylbut-1-enyl]iminomethanimidamide.
What is the SMILES notation for N'-methyl-N-[(Z)-2-methyl-1-pyridin-2-ylbut-1-enyl]iminomethanimidamide?
The canonical SMILES for N'-methyl-N-[(Z)-2-methyl-1-pyridin-2-ylbut-1-enyl]iminomethanimidamide is CC/C(C)=C(\N=N\C=N\C)c1ccccn1.
What is the InChIKey of N'-methyl-N-[(Z)-2-methyl-1-pyridin-2-ylbut-1-enyl]iminomethanimidamide?
The InChIKey is GOKMMOBQYXTFML-TZBUMBODSA-N. The full InChI is InChI=1S/C12H16N4/c1-4-10(2)12(16-15-9-13-3)11-7-5-6-8-14-11/h5-9H,4H2,1-3H3/b12-10-,13-9+,16-15+.
What are the key properties of N'-methyl-N-[(Z)-2-methyl-1-pyridin-2-ylbut-1-enyl]iminomethanimidamide?
N'-methyl-N-[(Z)-2-methyl-1-pyridin-2-ylbut-1-enyl]iminomethanimidamide has a molecular weight of 216.29 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(Z)-2-methyl-1-pyridin-2-ylbut-1-enyl]iminomethanimidamide is sourced from PubChem (CID 146506890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).