(3E)-3-[3-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-1H-pyridin-4-ylidene]-1-methyl-2H-pyridin-6-imine

C18H25N3 — CID 177355498

IUPAC(3E)-3-[3-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-1H-pyridin-4-ylidene]-1-methyl-2H-pyridin-6-imine
SMILES[H]/N=C1\C=C/C(=C2/C=CNC(C)=C2/C=C(\C)C(C)C)CN1C
InChIInChI=1S/C18H25N3/c1-12(2)13(3)10-17-14(4)20-9-8-16(17)15-6-7-18(19)21(5)11-15/h6-10,12,19-20H,11H2,1-5H3/b13-10+,16-15+,19-18+
InChIKeyNIMSLQMPOLYBMS-OAZNMKBMSA-N
MW283.42 g/mol
LogP3.76
Rot. Bonds2

About (3E)-3-[3-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-1H-pyridin-4-ylidene]-1-methyl-2H-pyridin-6-imine

(3E)-3-[3-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-1H-pyridin-4-ylidene]-1-methyl-2H-pyridin-6-imine (PubChem CID 177355498) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is (3E)-3-[3-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-1H-pyridin-4-ylidene]-1-methyl-2H-pyridin-6-imine.

Molecular Properties

Compound Name(3E)-3-[3-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-1H-pyridin-4-ylidene]-1-methyl-2H-pyridin-6-imine
PubChem CID177355498
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name(3E)-3-[3-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-1H-pyridin-4-ylidene]-1-methyl-2H-pyridin-6-imine
SMILES[H]/N=C1\C=C/C(=C2/C=CNC(C)=C2/C=C(\C)C(C)C)CN1C
InChIInChI=1S/C18H25N3/c1-12(2)13(3)10-17-14(4)20-9-8-16(17)15-6-7-18(19)21(5)11-15/h6-10,12,19-20H,11H2,1-5H3/b13-10+,16-15+,19-18+
InChIKeyNIMSLQMPOLYBMS-OAZNMKBMSA-N
XLogP3.76
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide
CID 165410656
4-Methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123256021
1-But-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine
CID 123286517
1-But-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine
CID 123811988
6-[(1Z)-buta-1,3-dienyl]-5-methyl-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 132099128
(E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine
CID 134567574
2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine;(Z)-3,4-dimethyloct-4-ene
CID 142511349
1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane
CID 143424286
N-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine
CID 155441895
N-[(3E)-3-(1-ethenyl-5-methyl-2-pyridinylidene)but-1-en-2-yl]-N',2-dimethylpropanimidamide
CID 164594772
Ethane;5-(2-fluoropropan-2-yl)-3-propan-2-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 168201715
1-But-1-en-2-yl-4-ethylpyridin-2-imine
CID 169252177

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[3-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-1H-pyridin-4-ylidene]-1-methyl-2H-pyridin-6-imine?
The IUPAC name of (3E)-3-[3-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-1H-pyridin-4-ylidene]-1-methyl-2H-pyridin-6-imine (CID 177355498) is (3E)-3-[3-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-1H-pyridin-4-ylidene]-1-methyl-2H-pyridin-6-imine.
What is the SMILES notation for (3E)-3-[3-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-1H-pyridin-4-ylidene]-1-methyl-2H-pyridin-6-imine?
The canonical SMILES for (3E)-3-[3-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-1H-pyridin-4-ylidene]-1-methyl-2H-pyridin-6-imine is [H]/N=C1\C=C/C(=C2/C=CNC(C)=C2/C=C(\C)C(C)C)CN1C.
What is the InChIKey of (3E)-3-[3-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-1H-pyridin-4-ylidene]-1-methyl-2H-pyridin-6-imine?
The InChIKey is NIMSLQMPOLYBMS-OAZNMKBMSA-N. The full InChI is InChI=1S/C18H25N3/c1-12(2)13(3)10-17-14(4)20-9-8-16(17)15-6-7-18(19)21(5)11-15/h6-10,12,19-20H,11H2,1-5H3/b13-10+,16-15+,19-18+.
What are the key properties of (3E)-3-[3-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-1H-pyridin-4-ylidene]-1-methyl-2H-pyridin-6-imine?
(3E)-3-[3-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-1H-pyridin-4-ylidene]-1-methyl-2H-pyridin-6-imine has a molecular weight of 283.42 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[3-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-1H-pyridin-4-ylidene]-1-methyl-2H-pyridin-6-imine is sourced from PubChem (CID 177355498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).