(7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine

C19H24N2 — CID 129058386

IUPAC(7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine
SMILESC=C/C=C(\C=C1/CC=C(C=C)CC(N)=N1)C(=CC)/C=C\C
InChIInChI=1S/C19H24N2/c1-5-9-16(8-4)17(10-6-2)14-18-12-11-15(7-3)13-19(20)21-18/h5-11,14H,2-3,12-13H2,1,4H3,(H2,20,21)/b9-5-,16-8+,17-10+,18-14+
InChIKeyIGMFXIYGNCHTRA-VGJLFDSPSA-N
MW280.42 g/mol
LogP4.77
Rot. Bonds5

About (7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine

(7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine (PubChem CID 129058386) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is (7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine.

Molecular Properties

Compound Name(7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine
PubChem CID129058386
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name(7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine
SMILESC=C/C=C(\C=C1/CC=C(C=C)CC(N)=N1)C(=CC)/C=C\C
InChIInChI=1S/C19H24N2/c1-5-9-16(8-4)17(10-6-2)14-18-12-11-15(7-3)13-19(20)21-18/h5-11,14H,2-3,12-13H2,1,4H3,(H2,20,21)/b9-5-,16-8+,17-10+,18-14+
InChIKeyIGMFXIYGNCHTRA-VGJLFDSPSA-N
XLogP4.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine with MolForge

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Related Compounds

N'-cyclohexa-1,3-dien-1-ylethanimidamide
CID 68215787
N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide
CID 91142648
4-ethenyl-7-[(1E,3Z)-2-(4-ethenylcyclohexa-1,5-dien-1-yl)penta-1,3-dienyl]-3H-azepin-2-amine
CID 129058528
N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide
CID 130472311
8-(4-but-3-enyl-1-methylcyclohexa-2,4-dien-1-yl)-4-ethenyl-5a,6-dihydro-3H-1-benzazepin-2-amine
CID 131968958
N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide
CID 134444275
N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide
CID 134444323
N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide
CID 135257456
(Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide
CID 137446904
N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide
CID 138473649
N'-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]ethanimidamide
CID 138567465
ethane;(2E)-N'-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
CID 141839406

Frequently Asked Questions

What is the IUPAC name of (7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine?
The IUPAC name of (7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine (CID 129058386) is (7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine.
What is the SMILES notation for (7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine?
The canonical SMILES for (7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine is C=C/C=C(\C=C1/CC=C(C=C)CC(N)=N1)C(=CC)/C=C\C.
What is the InChIKey of (7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine?
The InChIKey is IGMFXIYGNCHTRA-VGJLFDSPSA-N. The full InChI is InChI=1S/C19H24N2/c1-5-9-16(8-4)17(10-6-2)14-18-12-11-15(7-3)13-19(20)21-18/h5-11,14H,2-3,12-13H2,1,4H3,(H2,20,21)/b9-5-,16-8+,17-10+,18-14+.
What are the key properties of (7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine?
(7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine has a molecular weight of 280.42 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine is sourced from PubChem (CID 129058386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).