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

C14H16N4 — CID 165125795

IUPAC3-imino-3-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]propanenitrile
SMILES[H]/N=C/C(=C(C)C)c1cc(C)c(/C(CC#N)=N/[H])cn1
InChIInChI=1S/C14H16N4/c1-9(2)11(7-16)14-6-10(3)12(8-18-14)13(17)4-5-15/h6-8,16-17H,4H2,1-3H3/b16-7+,17-13+
InChIKeyPNIBOTPFTQALOU-SAERGTNASA-N
MW240.31 g/mol
LogP3.11
Rot. Bonds4

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

3-imino-3-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]propanenitrile (PubChem CID 165125795) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-imino-3-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]propanenitrile.

Molecular Properties

Compound Name3-imino-3-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]propanenitrile
PubChem CID165125795
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-imino-3-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]propanenitrile
SMILES[H]/N=C/C(=C(C)C)c1cc(C)c(/C(CC#N)=N/[H])cn1
InChIInChI=1S/C14H16N4/c1-9(2)11(7-16)14-6-10(3)12(8-18-14)13(17)4-5-15/h6-8,16-17H,4H2,1-3H3/b16-7+,17-13+
InChIKeyPNIBOTPFTQALOU-SAERGTNASA-N
XLogP3.11
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide
CID 165125760
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-(4,6-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
1-(4,5-dimethyl-2-pyridinyl)ethanimine
CID 144541675
5-(3-cyanoprop-1-enyl)-3-methylpyridine-2-carbonitrile
CID 170799631
3-[4-(4-tert-butylphenoxy)phenyl]-3-iminopropanenitrile
CID 7075602
4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide
CID 143165725
methyl 6-acetyl-4-methylpyridine-3-carboxylate
CID 178165335
3-(5,6-dimethyl-3-pyridinyl)-3-oxopropanenitrile
CID 130438969
1-(4,6-dimethyl-3-pyridinyl)hex-4-yn-1-one
CID 131150840
5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile
CID 170486897

Frequently Asked Questions

What is the IUPAC name of 3-imino-3-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]propanenitrile?
The IUPAC name of 3-imino-3-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]propanenitrile (CID 165125795) is 3-imino-3-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]propanenitrile.
What is the SMILES notation for 3-imino-3-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]propanenitrile?
The canonical SMILES for 3-imino-3-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]propanenitrile is [H]/N=C/C(=C(C)C)c1cc(C)c(/C(CC#N)=N/[H])cn1.
What is the InChIKey of 3-imino-3-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]propanenitrile?
The InChIKey is PNIBOTPFTQALOU-SAERGTNASA-N. The full InChI is InChI=1S/C14H16N4/c1-9(2)11(7-16)14-6-10(3)12(8-18-14)13(17)4-5-15/h6-8,16-17H,4H2,1-3H3/b16-7+,17-13+.
What are the key properties of 3-imino-3-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]propanenitrile?
3-imino-3-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]propanenitrile has a molecular weight of 240.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-3-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]propanenitrile is sourced from PubChem (CID 165125795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).