N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine

C22H26N2 — CID 54210930

IUPACN-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
SMILESCC=CCCc1ccc(C=NN=Cc2ccc(CCC)cc2)cc1
InChIInChI=1S/C22H26N2/c1-3-5-6-8-20-11-15-22(16-12-20)18-24-23-17-21-13-9-19(7-4-2)10-14-21/h3,5,9-18H,4,6-8H2,1-2H3
InChIKeyPVWZDEDQHDDVTB-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.60
Rot. Bonds8

About N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine

N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine (PubChem CID 54210930) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine.

Molecular Properties

Compound NameN-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
PubChem CID54210930
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC NameN-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
SMILESCC=CCCc1ccc(C=NN=Cc2ccc(CCC)cc2)cc1
InChIInChI=1S/C22H26N2/c1-3-5-6-8-20-11-15-22(16-12-20)18-24-23-17-21-13-9-19(7-4-2)10-14-21/h3,5,9-18H,4,6-8H2,1-2H3
InChIKeyPVWZDEDQHDDVTB-UHFFFAOYSA-N
XLogP5.60
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine
CID 19368303
1-(4-methylphenyl)-N-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine
CID 70190165
1-pent-3-enyl-4-propylbenzene
CID 72599491
N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
CID 70190206
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
N-[(4-ethoxy-2,3-difluorophenyl)methylideneamino]-1-[4-[(E)-pent-3-enyl]phenyl]methanimine
CID 70289635
N-[(4-chlorophenyl)methylideneamino]-1-(4-hex-3-enylphenyl)methanimine
CID 54560984
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
1-[(E)-prop-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991601
1-[(E)-but-2-enyl]-4-propylbenzene
CID 12579285
N-[(3-fluoro-4-propylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54117379
4-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]benzonitrile
CID 139780621

Frequently Asked Questions

What is the IUPAC name of N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine?
The IUPAC name of N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine (CID 54210930) is N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine.
What is the SMILES notation for N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine?
The canonical SMILES for N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine is CC=CCCc1ccc(C=NN=Cc2ccc(CCC)cc2)cc1.
What is the InChIKey of N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine?
The InChIKey is PVWZDEDQHDDVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-3-5-6-8-20-11-15-22(16-12-20)18-24-23-17-21-13-9-19(7-4-2)10-14-21/h3,5,9-18H,4,6-8H2,1-2H3.
What are the key properties of N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine?
N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine has a molecular weight of 318.46 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine is sourced from PubChem (CID 54210930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).