(7Z)-8-[(1,6-dimethyl-2,3-dihydropyridin-4-ylidene)amino]-N,N,5-trimethyl-6-[2-(5-methylcyclohexa-1,5-dien-1-yl)ethenyl]-3,4,5,6-tetrahydroazocin-2-amine

C26H38N4 — CID 91539516

IUPAC(7Z)-8-[(1,6-dimethyl-2,3-dihydropyridin-4-ylidene)amino]-N,N,5-trimethyl-6-[2-(5-methylcyclohexa-1,5-dien-1-yl)ethenyl]-3,4,5,6-tetrahydroazocin-2-amine
SMILESCC1=CC(C=CC2/C=C(/N=C3C=C(C)N(C)CC3)N=C(N(C)C)CCC2C)=CCC1
InChIInChI=1S/C26H38N4/c1-19-8-7-9-22(16-19)11-12-23-18-25(27-24-14-15-30(6)21(3)17-24)28-26(29(4)5)13-10-20(23)2/h9,11-12,16-18,20,23H,7-8,10,13-15H2,1-6H3/b12-11?,25-18-,27-24?,28-26?
InChIKeyCYAZDDOGJPZASQ-UJPNACCKSA-N
MW406.62 g/mol
LogP5.74
Rot. Bonds3

About (7Z)-8-[(1,6-dimethyl-2,3-dihydropyridin-4-ylidene)amino]-N,N,5-trimethyl-6-[2-(5-methylcyclohexa-1,5-dien-1-yl)ethenyl]-3,4,5,6-tetrahydroazocin-2-amine

(7Z)-8-[(1,6-dimethyl-2,3-dihydropyridin-4-ylidene)amino]-N,N,5-trimethyl-6-[2-(5-methylcyclohexa-1,5-dien-1-yl)ethenyl]-3,4,5,6-tetrahydroazocin-2-amine (PubChem CID 91539516) has the molecular formula C26H38N4 and a molecular weight of 406.62 g/mol. Its IUPAC name is (7Z)-8-[(1,6-dimethyl-2,3-dihydropyridin-4-ylidene)amino]-N,N,5-trimethyl-6-[2-(5-methylcyclohexa-1,5-dien-1-yl)ethenyl]-3,4,5,6-tetrahydroazocin-2-amine.

Molecular Properties

Compound Name(7Z)-8-[(1,6-dimethyl-2,3-dihydropyridin-4-ylidene)amino]-N,N,5-trimethyl-6-[2-(5-methylcyclohexa-1,5-dien-1-yl)ethenyl]-3,4,5,6-tetrahydroazocin-2-amine
PubChem CID91539516
Molecular FormulaC26H38N4
Molecular Weight406.62 g/mol
Exact Mass406.31
IUPAC Name(7Z)-8-[(1,6-dimethyl-2,3-dihydropyridin-4-ylidene)amino]-N,N,5-trimethyl-6-[2-(5-methylcyclohexa-1,5-dien-1-yl)ethenyl]-3,4,5,6-tetrahydroazocin-2-amine
SMILESCC1=CC(C=CC2/C=C(/N=C3C=C(C)N(C)CC3)N=C(N(C)C)CCC2C)=CCC1
InChIInChI=1S/C26H38N4/c1-19-8-7-9-22(16-19)11-12-23-18-25(27-24-14-15-30(6)21(3)17-24)28-26(29(4)5)13-10-20(23)2/h9,11-12,16-18,20,23H,7-8,10,13-15H2,1-6H3/b12-11?,25-18-,27-24?,28-26?
InChIKeyCYAZDDOGJPZASQ-UJPNACCKSA-N
XLogP5.74
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.62
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide
CID 91419634
(7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine
CID 130374259
(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine
CID 142511111
4-cyclobutylidene-2-[(3E,5E,10Z)-2-ethyl-3,11-dimethyl-1-azacycloundeca-1,3,5,10-tetraen-5-yl]-7-(4-methylazocan-1-yl)pyrido[1,2-a]pyrimidine
CID 142511168
N'-[(Z,2E)-2-ethylidenehept-3-enyl]-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylcyclohexanecarboximidamide
CID 166885722
(2E)-1-[4-cyclopropylidene-7-(4,5-dimethylazocan-1-yl)-9-methylpyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 170019972
N-cyclohexa-1,3-dien-1-yl-N-[1-[(2R)-1,2-dimethylcyclopropyl]ethyl]-N'-methyl-2-propan-2-yliminopropanimidamide
CID 173722316

Frequently Asked Questions

What is the IUPAC name of (7Z)-8-[(1,6-dimethyl-2,3-dihydropyridin-4-ylidene)amino]-N,N,5-trimethyl-6-[2-(5-methylcyclohexa-1,5-dien-1-yl)ethenyl]-3,4,5,6-tetrahydroazocin-2-amine?
The IUPAC name of (7Z)-8-[(1,6-dimethyl-2,3-dihydropyridin-4-ylidene)amino]-N,N,5-trimethyl-6-[2-(5-methylcyclohexa-1,5-dien-1-yl)ethenyl]-3,4,5,6-tetrahydroazocin-2-amine (CID 91539516) is (7Z)-8-[(1,6-dimethyl-2,3-dihydropyridin-4-ylidene)amino]-N,N,5-trimethyl-6-[2-(5-methylcyclohexa-1,5-dien-1-yl)ethenyl]-3,4,5,6-tetrahydroazocin-2-amine.
What is the SMILES notation for (7Z)-8-[(1,6-dimethyl-2,3-dihydropyridin-4-ylidene)amino]-N,N,5-trimethyl-6-[2-(5-methylcyclohexa-1,5-dien-1-yl)ethenyl]-3,4,5,6-tetrahydroazocin-2-amine?
The canonical SMILES for (7Z)-8-[(1,6-dimethyl-2,3-dihydropyridin-4-ylidene)amino]-N,N,5-trimethyl-6-[2-(5-methylcyclohexa-1,5-dien-1-yl)ethenyl]-3,4,5,6-tetrahydroazocin-2-amine is CC1=CC(C=CC2/C=C(/N=C3C=C(C)N(C)CC3)N=C(N(C)C)CCC2C)=CCC1.
What is the InChIKey of (7Z)-8-[(1,6-dimethyl-2,3-dihydropyridin-4-ylidene)amino]-N,N,5-trimethyl-6-[2-(5-methylcyclohexa-1,5-dien-1-yl)ethenyl]-3,4,5,6-tetrahydroazocin-2-amine?
The InChIKey is CYAZDDOGJPZASQ-UJPNACCKSA-N. The full InChI is InChI=1S/C26H38N4/c1-19-8-7-9-22(16-19)11-12-23-18-25(27-24-14-15-30(6)21(3)17-24)28-26(29(4)5)13-10-20(23)2/h9,11-12,16-18,20,23H,7-8,10,13-15H2,1-6H3/b12-11?,25-18-,27-24?,28-26?.
What are the key properties of (7Z)-8-[(1,6-dimethyl-2,3-dihydropyridin-4-ylidene)amino]-N,N,5-trimethyl-6-[2-(5-methylcyclohexa-1,5-dien-1-yl)ethenyl]-3,4,5,6-tetrahydroazocin-2-amine?
(7Z)-8-[(1,6-dimethyl-2,3-dihydropyridin-4-ylidene)amino]-N,N,5-trimethyl-6-[2-(5-methylcyclohexa-1,5-dien-1-yl)ethenyl]-3,4,5,6-tetrahydroazocin-2-amine has a molecular weight of 406.62 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-8-[(1,6-dimethyl-2,3-dihydropyridin-4-ylidene)amino]-N,N,5-trimethyl-6-[2-(5-methylcyclohexa-1,5-dien-1-yl)ethenyl]-3,4,5,6-tetrahydroazocin-2-amine is sourced from PubChem (CID 91539516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).