2-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide

C14H19N5 — CID 165125760

IUPAC2-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide
SMILES[H]/N=C(C(\N)=N\C)/c1cnc(C(/C=N/[H])=C(C)C)cc1C
InChIInChI=1S/C14H19N5/c1-8(2)10(6-15)12-5-9(3)11(7-19-12)13(16)14(17)18-4/h5-7,15-16H,1-4H3,(H2,17,18)/b15-6+,16-13-
InChIKeyKHLOTXYVVFXQEX-KIWDCWHXSA-N
MW257.34 g/mol
LogP2.19
Rot. Bonds4

About 2-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide

2-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide (PubChem CID 165125760) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide.

Molecular Properties

Compound Name2-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide
PubChem CID165125760
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide
SMILES[H]/N=C(C(\N)=N\C)/c1cnc(C(/C=N/[H])=C(C)C)cc1C
InChIInChI=1S/C14H19N5/c1-8(2)10(6-15)12-5-9(3)11(7-19-12)13(16)14(17)18-4/h5-7,15-16H,1-4H3,(H2,17,18)/b15-6+,16-13-
InChIKeyKHLOTXYVVFXQEX-KIWDCWHXSA-N
XLogP2.19
TPSA98.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-imino-3-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]propanenitrile
CID 165125795
2-[6-[1-[(Z)-hept-4-en-3-yl]imino-3-methylbut-2-en-2-yl]-4-methyl-3-pyridinyl]-2-iminoethanamine
CID 165125662
1-(4,5-dimethyl-2-pyridinyl)ethanimine
CID 144541675
1-(5-fluoro-2-pyridinyl)-N-methylethane-1,2-diimine
CID 123180526
1-(4,6-dimethyl-3-pyridinyl)ethanimine
CID 123920913
4-chloro-1-methoxy-2-propylbenzene;ethane;1-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-2-methylbutan-1-imine;(Z)-5-methylhept-3-ene;N-propylpropan-1-amine
CID 165125600
4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide
CID 143165725
5-tert-butyl-4-methyl-N-methylidenepyridine-2-carboximidamide;ethane
CID 144542057
4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride
CID 53484979
3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methylbenzamide
CID 142305843
4,5-dimethylpyridine-2-carboxamide
CID 158335176
ethane;pyridin-4-yl 3-methyl-2-(N'-methylcarbamimidoyl)but-2-enimidothioate
CID 143946121

Frequently Asked Questions

What is the IUPAC name of 2-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide?
The IUPAC name of 2-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide (CID 165125760) is 2-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide.
What is the SMILES notation for 2-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide?
The canonical SMILES for 2-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide is [H]/N=C(C(\N)=N\C)/c1cnc(C(/C=N/[H])=C(C)C)cc1C.
What is the InChIKey of 2-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide?
The InChIKey is KHLOTXYVVFXQEX-KIWDCWHXSA-N. The full InChI is InChI=1S/C14H19N5/c1-8(2)10(6-15)12-5-9(3)11(7-19-12)13(16)14(17)18-4/h5-7,15-16H,1-4H3,(H2,17,18)/b15-6+,16-13-.
What are the key properties of 2-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide?
2-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide has a molecular weight of 257.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide is sourced from PubChem (CID 165125760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).