N-[(E)-3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enyl]-6-[(Z)-3-cyclohexa-2,4-dien-1-ylprop-1-enyl]iminocyclohexa-1,3-dien-1-amine

C25H28N2 — CID 144673752

IUPACN-[(E)-3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enyl]-6-[(Z)-3-cyclohexa-2,4-dien-1-ylprop-1-enyl]iminocyclohexa-1,3-dien-1-amine
SMILESC1=CC/C(=N\C=C/CC2C=CC=CC2)C(NC/C=C/C2=CC=CC3CC23)=C1
InChIInChI=1S/C25H28N2/c1-2-9-20(10-3-1)11-7-17-26-24-15-4-5-16-25(24)27-18-8-14-21-12-6-13-22-19-23(21)22/h1-9,12-14,16-17,20,22-23,27H,10-11,15,18-19H2/b14-8+,17-7-,26-24+
InChIKeyCZVCBPDXJSEFGI-DIWVCXIXSA-N
MW356.51 g/mol
LogP5.59
Rot. Bonds7

About N-[(E)-3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enyl]-6-[(Z)-3-cyclohexa-2,4-dien-1-ylprop-1-enyl]iminocyclohexa-1,3-dien-1-amine

N-[(E)-3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enyl]-6-[(Z)-3-cyclohexa-2,4-dien-1-ylprop-1-enyl]iminocyclohexa-1,3-dien-1-amine (PubChem CID 144673752) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[(E)-3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enyl]-6-[(Z)-3-cyclohexa-2,4-dien-1-ylprop-1-enyl]iminocyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-[(E)-3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enyl]-6-[(Z)-3-cyclohexa-2,4-dien-1-ylprop-1-enyl]iminocyclohexa-1,3-dien-1-amine
PubChem CID144673752
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC NameN-[(E)-3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enyl]-6-[(Z)-3-cyclohexa-2,4-dien-1-ylprop-1-enyl]iminocyclohexa-1,3-dien-1-amine
SMILESC1=CC/C(=N\C=C/CC2C=CC=CC2)C(NC/C=C/C2=CC=CC3CC23)=C1
InChIInChI=1S/C25H28N2/c1-2-9-20(10-3-1)11-7-17-26-24-15-4-5-16-25(24)27-18-8-14-21-12-6-13-22-19-23(21)22/h1-9,12-14,16-17,20,22-23,27H,10-11,15,18-19H2/b14-8+,17-7-,26-24+
InChIKeyCZVCBPDXJSEFGI-DIWVCXIXSA-N
XLogP5.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enyl]-6-[(Z)-3-cyclohexa-2,4-dien-1-ylprop-1-enyl]iminocyclohexa-1,3-dien-1-amine with MolForge

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Related Compounds

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CID 70955557
(2R)-3-[(Z)-2-aminoprop-1-enyl]imino-N-[1-[2-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]cyclopropyl]ethenyl]pent-4-en-2-amine
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4-(6,7-dihydroquinolin-2-yl)-N-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]butan-2-amine
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ethane;(2E,4Z)-N-[[5-ethyl-4-methyl-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-methylhepta-2,4,6-trien-3-amine;molecular hydrogen;propane
CID 168936828
4-[3-[(1Z)-1-cyclopropylbuta-1,3-dienyl]-2-methyl-5-methylideneazepin-4-yl]-N-(2-methylpropyl)pent-4-en-1-amine
CID 169680149
3-[(5Z)-8-[[3-amino-1-[(1R)-cyclohexa-2,4-dien-1-yl]-3-cyclohexa-1,3-dien-1-ylprop-2-enylidene]amino]octa-1,5-dien-4-yl]-N-[(1R)-4-methylcyclohex-2-en-1-yl]cyclohexa-1,3-dien-1-amine
CID 173508377
(4Z)-1-[2-[(2Z,5Z,7Z)-7-ethyl-3,4-dimethyl-1,9-dihydro-1,4-diazonin-2-yl]cyclopropyl]-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine
CID 173794635
N,N-dimethyl-5-[(Z)-2-methyl-1-[[5-(2-methyl-3,4-dihydropyridin-3-yl)cyclohepta-2,5-dien-1-yl]methylamino]but-1-enyl]-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-4-amine
CID 173818795
5,7-di(cyclohexa-1,3-dien-1-yl)-1H-1,4-diazepine
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N-(8H-benzo[7]annulen-9-yl)-3-[(Z)-1-methyliminobut-2-en-2-yl]-4,4a-dihydroquinolin-8-amine
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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enyl]-6-[(Z)-3-cyclohexa-2,4-dien-1-ylprop-1-enyl]iminocyclohexa-1,3-dien-1-amine?
The IUPAC name of N-[(E)-3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enyl]-6-[(Z)-3-cyclohexa-2,4-dien-1-ylprop-1-enyl]iminocyclohexa-1,3-dien-1-amine (CID 144673752) is N-[(E)-3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enyl]-6-[(Z)-3-cyclohexa-2,4-dien-1-ylprop-1-enyl]iminocyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-[(E)-3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enyl]-6-[(Z)-3-cyclohexa-2,4-dien-1-ylprop-1-enyl]iminocyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-[(E)-3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enyl]-6-[(Z)-3-cyclohexa-2,4-dien-1-ylprop-1-enyl]iminocyclohexa-1,3-dien-1-amine is C1=CC/C(=N\C=C/CC2C=CC=CC2)C(NC/C=C/C2=CC=CC3CC23)=C1.
What is the InChIKey of N-[(E)-3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enyl]-6-[(Z)-3-cyclohexa-2,4-dien-1-ylprop-1-enyl]iminocyclohexa-1,3-dien-1-amine?
The InChIKey is CZVCBPDXJSEFGI-DIWVCXIXSA-N. The full InChI is InChI=1S/C25H28N2/c1-2-9-20(10-3-1)11-7-17-26-24-15-4-5-16-25(24)27-18-8-14-21-12-6-13-22-19-23(21)22/h1-9,12-14,16-17,20,22-23,27H,10-11,15,18-19H2/b14-8+,17-7-,26-24+.
What are the key properties of N-[(E)-3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enyl]-6-[(Z)-3-cyclohexa-2,4-dien-1-ylprop-1-enyl]iminocyclohexa-1,3-dien-1-amine?
N-[(E)-3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enyl]-6-[(Z)-3-cyclohexa-2,4-dien-1-ylprop-1-enyl]iminocyclohexa-1,3-dien-1-amine has a molecular weight of 356.51 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enyl]-6-[(Z)-3-cyclohexa-2,4-dien-1-ylprop-1-enyl]iminocyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 144673752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).