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

C20H30N4 — CID 165125662

IUPAC2-[6-[1-[(Z)-hept-4-en-3-yl]imino-3-methylbut-2-en-2-yl]-4-methyl-3-pyridinyl]-2-iminoethanamine
SMILES[H]/N=C(\CN)c1cnc(C(/C=N/C(/C=C\CC)CC)=C(C)C)cc1C
InChIInChI=1S/C20H30N4/c1-6-8-9-16(7-2)23-12-17(14(3)4)20-10-15(5)18(13-24-20)19(22)11-21/h8-10,12-13,16,22H,6-7,11,21H2,1-5H3/b9-8-,22-19+,23-12+
InChIKeyHLBKRSBFSKPWIX-AFYBGEIPSA-N
MW326.49 g/mol
LogP4.33
Rot. Bonds8

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

2-[6-[1-[(Z)-hept-4-en-3-yl]imino-3-methylbut-2-en-2-yl]-4-methyl-3-pyridinyl]-2-iminoethanamine (PubChem CID 165125662) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 2-[6-[1-[(Z)-hept-4-en-3-yl]imino-3-methylbut-2-en-2-yl]-4-methyl-3-pyridinyl]-2-iminoethanamine.

Molecular Properties

Compound Name2-[6-[1-[(Z)-hept-4-en-3-yl]imino-3-methylbut-2-en-2-yl]-4-methyl-3-pyridinyl]-2-iminoethanamine
PubChem CID165125662
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name2-[6-[1-[(Z)-hept-4-en-3-yl]imino-3-methylbut-2-en-2-yl]-4-methyl-3-pyridinyl]-2-iminoethanamine
SMILES[H]/N=C(\CN)c1cnc(C(/C=N/C(/C=C\CC)CC)=C(C)C)cc1C
InChIInChI=1S/C20H30N4/c1-6-8-9-16(7-2)23-12-17(14(3)4)20-10-15(5)18(13-24-20)19(22)11-21/h8-10,12-13,16,22H,6-7,11,21H2,1-5H3/b9-8-,22-19+,23-12+
InChIKeyHLBKRSBFSKPWIX-AFYBGEIPSA-N
XLogP4.33
TPSA75.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-imino-2-[6-(1-imino-3-methylbut-2-en-2-yl)-4-methyl-3-pyridinyl]-N'-methylethanimidamide
CID 165125760
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
1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine
CID 165125525
1-(4,6-dimethyl-3-pyridinyl)ethanimine
CID 123920913
2-(2-aminoethanimidoyl)-4-methylphenol
CID 142030299
ethyl 6-methoxypyrimidine-4-carboximidate
CID 102952465
ethyl 5-chloro-4-methylpyridine-2-carboxylate
CID 13481444
3-(6-chloro-5-methyl-3-pyridinyl)prop-2-en-1-amine
CID 169463285
pent-2-enimidamide
CID 74821450
2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde
CID 163774304

Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-[(Z)-hept-4-en-3-yl]imino-3-methylbut-2-en-2-yl]-4-methyl-3-pyridinyl]-2-iminoethanamine?
The IUPAC name of 2-[6-[1-[(Z)-hept-4-en-3-yl]imino-3-methylbut-2-en-2-yl]-4-methyl-3-pyridinyl]-2-iminoethanamine (CID 165125662) is 2-[6-[1-[(Z)-hept-4-en-3-yl]imino-3-methylbut-2-en-2-yl]-4-methyl-3-pyridinyl]-2-iminoethanamine.
What is the SMILES notation for 2-[6-[1-[(Z)-hept-4-en-3-yl]imino-3-methylbut-2-en-2-yl]-4-methyl-3-pyridinyl]-2-iminoethanamine?
The canonical SMILES for 2-[6-[1-[(Z)-hept-4-en-3-yl]imino-3-methylbut-2-en-2-yl]-4-methyl-3-pyridinyl]-2-iminoethanamine is [H]/N=C(\CN)c1cnc(C(/C=N/C(/C=C\CC)CC)=C(C)C)cc1C.
What is the InChIKey of 2-[6-[1-[(Z)-hept-4-en-3-yl]imino-3-methylbut-2-en-2-yl]-4-methyl-3-pyridinyl]-2-iminoethanamine?
The InChIKey is HLBKRSBFSKPWIX-AFYBGEIPSA-N. The full InChI is InChI=1S/C20H30N4/c1-6-8-9-16(7-2)23-12-17(14(3)4)20-10-15(5)18(13-24-20)19(22)11-21/h8-10,12-13,16,22H,6-7,11,21H2,1-5H3/b9-8-,22-19+,23-12+.
What are the key properties of 2-[6-[1-[(Z)-hept-4-en-3-yl]imino-3-methylbut-2-en-2-yl]-4-methyl-3-pyridinyl]-2-iminoethanamine?
2-[6-[1-[(Z)-hept-4-en-3-yl]imino-3-methylbut-2-en-2-yl]-4-methyl-3-pyridinyl]-2-iminoethanamine has a molecular weight of 326.49 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-[(Z)-hept-4-en-3-yl]imino-3-methylbut-2-en-2-yl]-4-methyl-3-pyridinyl]-2-iminoethanamine is sourced from PubChem (CID 165125662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).