N-[3-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methyl]-5-propyloct-1-enyl]-2-methylpropan-1-imine

C25H41N — CID 123355380

IUPACN-[3-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methyl]-5-propyloct-1-enyl]-2-methylpropan-1-imine
SMILESCCCC(CCC)CC(C=C/N=C/C(C)C)CC1CC1C1C=CC=CC1
InChIInChI=1S/C25H41N/c1-5-10-21(11-6-2)16-22(14-15-26-19-20(3)4)17-24-18-25(24)23-12-8-7-9-13-23/h7-9,12,14-15,19-25H,5-6,10-11,13,16-18H2,1-4H3/b15-14?,26-19+
InChIKeyNZZGQRQJEWSJAB-GPWOTLNDSA-N
MW355.61 g/mol
LogP7.61
Rot. Bonds12

About N-[3-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methyl]-5-propyloct-1-enyl]-2-methylpropan-1-imine

N-[3-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methyl]-5-propyloct-1-enyl]-2-methylpropan-1-imine (PubChem CID 123355380) has the molecular formula C25H41N and a molecular weight of 355.61 g/mol. Its IUPAC name is N-[3-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methyl]-5-propyloct-1-enyl]-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-[3-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methyl]-5-propyloct-1-enyl]-2-methylpropan-1-imine
PubChem CID123355380
Molecular FormulaC25H41N
Molecular Weight355.61 g/mol
Exact Mass355.32
IUPAC NameN-[3-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methyl]-5-propyloct-1-enyl]-2-methylpropan-1-imine
SMILESCCCC(CCC)CC(C=C/N=C/C(C)C)CC1CC1C1C=CC=CC1
InChIInChI=1S/C25H41N/c1-5-10-21(11-6-2)16-22(14-15-26-19-20(3)4)17-24-18-25(24)23-12-8-7-9-13-23/h7-9,12,14-15,19-25H,5-6,10-11,13,16-18H2,1-4H3/b15-14?,26-19+
InChIKeyNZZGQRQJEWSJAB-GPWOTLNDSA-N
XLogP7.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[3-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methyl]-5-propyloct-1-enyl]-2-methylpropan-1-imine with MolForge

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Launch Full Analysis

Related Compounds

N-[(E)-2-[6-(4-cyclohexylpent-4-en-2-yl)-5-fluorocyclohexa-2,4-dien-1-yl]prop-1-enyl]ethanimine
CID 135228890
(8E,10E)-4-methyl-1-azacycloundeca-1,8,10-triene
CID 70658421
3-[5-[10-(5-Ethyl-2,3-dihydronaphthalen-1-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydropyridine
CID 88488387
4-[5-[10-(5-Methyl-2,3-dihydronaphthalen-1-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydropyridine
CID 88488396
N-[3-(2-ethylcyclopropylidene)-2-methylprop-1-enyl]-2,3,3,5,5-pentamethylhexan-1-imine
CID 91579874
(E)-N,3-bis(ethenyl)-4-hexyldec-2-en-1-imine
CID 126626433
(E)-N,3-bis(ethenyl)-4-pentyldec-2-en-1-imine
CID 126626559
(3E,8Z,10Z)-7-ethyl-6,6-dimethyl-4-[(3Z)-penta-1,3-dien-3-yl]-1-azacycloundeca-1,3,8,10-tetraene
CID 129237976
(2Z)-N-ethenyl-3-hexyl-2-prop-2-enylidenenonan-1-imine
CID 134185779
N-methyl-2-[6-[1-[6-(2-methylpent-3-en-2-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,5-dien-1-yl]propan-1-imine
CID 134201764
N-[(Z)-3-hexyl-2-[(Z)-prop-1-enyl]dec-1-enyl]ethanimine
CID 134419944
5-(2-Methylpropyl)-4a,8a-dihydroisoquinoline
CID 135200694

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methyl]-5-propyloct-1-enyl]-2-methylpropan-1-imine?
The IUPAC name of N-[3-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methyl]-5-propyloct-1-enyl]-2-methylpropan-1-imine (CID 123355380) is N-[3-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methyl]-5-propyloct-1-enyl]-2-methylpropan-1-imine.
What is the SMILES notation for N-[3-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methyl]-5-propyloct-1-enyl]-2-methylpropan-1-imine?
The canonical SMILES for N-[3-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methyl]-5-propyloct-1-enyl]-2-methylpropan-1-imine is CCCC(CCC)CC(C=C/N=C/C(C)C)CC1CC1C1C=CC=CC1.
What is the InChIKey of N-[3-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methyl]-5-propyloct-1-enyl]-2-methylpropan-1-imine?
The InChIKey is NZZGQRQJEWSJAB-GPWOTLNDSA-N. The full InChI is InChI=1S/C25H41N/c1-5-10-21(11-6-2)16-22(14-15-26-19-20(3)4)17-24-18-25(24)23-12-8-7-9-13-23/h7-9,12,14-15,19-25H,5-6,10-11,13,16-18H2,1-4H3/b15-14?,26-19+.
What are the key properties of N-[3-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methyl]-5-propyloct-1-enyl]-2-methylpropan-1-imine?
N-[3-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methyl]-5-propyloct-1-enyl]-2-methylpropan-1-imine has a molecular weight of 355.61 g/mol, XLogP of 7.61, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methyl]-5-propyloct-1-enyl]-2-methylpropan-1-imine is sourced from PubChem (CID 123355380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).