N-[(2-ethyl-1-phenyl-2,3-dihydroindol-3-yl)methyl]pentan-1-imine

C22H28N2 — CID 155173592

IUPACN-[(2-ethyl-1-phenyl-2,3-dihydroindol-3-yl)methyl]pentan-1-imine
SMILESCCCC/C=N/CC1c2ccccc2N(c2ccccc2)C1CC
InChIInChI=1S/C22H28N2/c1-3-5-11-16-23-17-20-19-14-9-10-15-22(19)24(21(20)4-2)18-12-7-6-8-13-18/h6-10,12-16,20-21H,3-5,11,17H2,1-2H3/b23-16+
InChIKeyCZPIOBUKRSBKKY-XQNSMLJCSA-N
MW320.48 g/mol
LogP5.96
Rot. Bonds7

About N-[(2-ethyl-1-phenyl-2,3-dihydroindol-3-yl)methyl]pentan-1-imine

N-[(2-ethyl-1-phenyl-2,3-dihydroindol-3-yl)methyl]pentan-1-imine (PubChem CID 155173592) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[(2-ethyl-1-phenyl-2,3-dihydroindol-3-yl)methyl]pentan-1-imine.

Molecular Properties

Compound NameN-[(2-ethyl-1-phenyl-2,3-dihydroindol-3-yl)methyl]pentan-1-imine
PubChem CID155173592
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC NameN-[(2-ethyl-1-phenyl-2,3-dihydroindol-3-yl)methyl]pentan-1-imine
SMILESCCCC/C=N/CC1c2ccccc2N(c2ccccc2)C1CC
InChIInChI=1S/C22H28N2/c1-3-5-11-16-23-17-20-19-14-9-10-15-22(19)24(21(20)4-2)18-12-7-6-8-13-18/h6-10,12-16,20-21H,3-5,11,17H2,1-2H3/b23-16+
InChIKeyCZPIOBUKRSBKKY-XQNSMLJCSA-N
XLogP5.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-phenyl-2,3-dihydroindol-3-yl)methyl]pentan-1-imine?
The IUPAC name of N-[(2-ethyl-1-phenyl-2,3-dihydroindol-3-yl)methyl]pentan-1-imine (CID 155173592) is N-[(2-ethyl-1-phenyl-2,3-dihydroindol-3-yl)methyl]pentan-1-imine.
What is the SMILES notation for N-[(2-ethyl-1-phenyl-2,3-dihydroindol-3-yl)methyl]pentan-1-imine?
The canonical SMILES for N-[(2-ethyl-1-phenyl-2,3-dihydroindol-3-yl)methyl]pentan-1-imine is CCCC/C=N/CC1c2ccccc2N(c2ccccc2)C1CC.
What is the InChIKey of N-[(2-ethyl-1-phenyl-2,3-dihydroindol-3-yl)methyl]pentan-1-imine?
The InChIKey is CZPIOBUKRSBKKY-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H28N2/c1-3-5-11-16-23-17-20-19-14-9-10-15-22(19)24(21(20)4-2)18-12-7-6-8-13-18/h6-10,12-16,20-21H,3-5,11,17H2,1-2H3/b23-16+.
What are the key properties of N-[(2-ethyl-1-phenyl-2,3-dihydroindol-3-yl)methyl]pentan-1-imine?
N-[(2-ethyl-1-phenyl-2,3-dihydroindol-3-yl)methyl]pentan-1-imine has a molecular weight of 320.48 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-phenyl-2,3-dihydroindol-3-yl)methyl]pentan-1-imine is sourced from PubChem (CID 155173592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).