N-[2-butyl-4-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-[(3E,5E)-3,6-dimethylocta-1,3,5,7-tetraen-2-yl]-2,5-dihydropyrrol-3-yl]methanimine

C27H36N2 — CID 130182871

IUPACN-[2-butyl-4-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-[(3E,5E)-3,6-dimethylocta-1,3,5,7-tetraen-2-yl]-2,5-dihydropyrrol-3-yl]methanimine
SMILESC=C/C(C)=C/C=C(\C)C(=C)N1CC(C(=C)C2=CC=CCC2)=C(N=C)C1CCCC
InChIInChI=1S/C27H36N2/c1-8-10-16-26-27(28-7)25(22(5)24-14-12-11-13-15-24)19-29(26)23(6)21(4)18-17-20(3)9-2/h9,11-12,14,17-18,26H,2,5-8,10,13,15-16,19H2,1,3-4H3/b20-17+,21-18+
InChIKeyKONWODWSIPABSV-PHEFWILJSA-N
MW388.60 g/mol
LogP7.24
Rot. Bonds10

About N-[2-butyl-4-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-[(3E,5E)-3,6-dimethylocta-1,3,5,7-tetraen-2-yl]-2,5-dihydropyrrol-3-yl]methanimine

N-[2-butyl-4-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-[(3E,5E)-3,6-dimethylocta-1,3,5,7-tetraen-2-yl]-2,5-dihydropyrrol-3-yl]methanimine (PubChem CID 130182871) has the molecular formula C27H36N2 and a molecular weight of 388.60 g/mol. Its IUPAC name is N-[2-butyl-4-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-[(3E,5E)-3,6-dimethylocta-1,3,5,7-tetraen-2-yl]-2,5-dihydropyrrol-3-yl]methanimine.

Molecular Properties

Compound NameN-[2-butyl-4-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-[(3E,5E)-3,6-dimethylocta-1,3,5,7-tetraen-2-yl]-2,5-dihydropyrrol-3-yl]methanimine
PubChem CID130182871
Molecular FormulaC27H36N2
Molecular Weight388.60 g/mol
Exact Mass388.29
IUPAC NameN-[2-butyl-4-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-[(3E,5E)-3,6-dimethylocta-1,3,5,7-tetraen-2-yl]-2,5-dihydropyrrol-3-yl]methanimine
SMILESC=C/C(C)=C/C=C(\C)C(=C)N1CC(C(=C)C2=CC=CCC2)=C(N=C)C1CCCC
InChIInChI=1S/C27H36N2/c1-8-10-16-26-27(28-7)25(22(5)24-14-12-11-13-15-24)19-29(26)23(6)21(4)18-17-20(3)9-2/h9,11-12,14,17-18,26H,2,5-8,10,13,15-16,19H2,1,3-4H3/b20-17+,21-18+
InChIKeyKONWODWSIPABSV-PHEFWILJSA-N
XLogP7.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-butyl-4-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-[(3E,5E)-3,6-dimethylocta-1,3,5,7-tetraen-2-yl]-2,5-dihydropyrrol-3-yl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-butyl-4-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-[(3E,5E)-3,6-dimethylocta-1,3,5,7-tetraen-2-yl]-2,5-dihydropyrrol-3-yl]methanimine?
The IUPAC name of N-[2-butyl-4-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-[(3E,5E)-3,6-dimethylocta-1,3,5,7-tetraen-2-yl]-2,5-dihydropyrrol-3-yl]methanimine (CID 130182871) is N-[2-butyl-4-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-[(3E,5E)-3,6-dimethylocta-1,3,5,7-tetraen-2-yl]-2,5-dihydropyrrol-3-yl]methanimine.
What is the SMILES notation for N-[2-butyl-4-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-[(3E,5E)-3,6-dimethylocta-1,3,5,7-tetraen-2-yl]-2,5-dihydropyrrol-3-yl]methanimine?
The canonical SMILES for N-[2-butyl-4-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-[(3E,5E)-3,6-dimethylocta-1,3,5,7-tetraen-2-yl]-2,5-dihydropyrrol-3-yl]methanimine is C=C/C(C)=C/C=C(\C)C(=C)N1CC(C(=C)C2=CC=CCC2)=C(N=C)C1CCCC.
What is the InChIKey of N-[2-butyl-4-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-[(3E,5E)-3,6-dimethylocta-1,3,5,7-tetraen-2-yl]-2,5-dihydropyrrol-3-yl]methanimine?
The InChIKey is KONWODWSIPABSV-PHEFWILJSA-N. The full InChI is InChI=1S/C27H36N2/c1-8-10-16-26-27(28-7)25(22(5)24-14-12-11-13-15-24)19-29(26)23(6)21(4)18-17-20(3)9-2/h9,11-12,14,17-18,26H,2,5-8,10,13,15-16,19H2,1,3-4H3/b20-17+,21-18+.
What are the key properties of N-[2-butyl-4-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-[(3E,5E)-3,6-dimethylocta-1,3,5,7-tetraen-2-yl]-2,5-dihydropyrrol-3-yl]methanimine?
N-[2-butyl-4-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-[(3E,5E)-3,6-dimethylocta-1,3,5,7-tetraen-2-yl]-2,5-dihydropyrrol-3-yl]methanimine has a molecular weight of 388.60 g/mol, XLogP of 7.24, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-butyl-4-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-[(3E,5E)-3,6-dimethylocta-1,3,5,7-tetraen-2-yl]-2,5-dihydropyrrol-3-yl]methanimine is sourced from PubChem (CID 130182871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).