N-[(E)-pentylideneamino]-1,1,1-triphenylmethanamine

C24H26N2 — CID 13301932

IUPACN-[(E)-pentylideneamino]-1,1,1-triphenylmethanamine
SMILESCCCC/C=N/NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2/c1-2-3-13-20-25-26-24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h4-12,14-20,26H,2-3,13H2,1H3/b25-20+
InChIKeyYUVPEPZFLNMCRO-LKUDQCMESA-N
MW342.49 g/mol
LogP5.74
Rot. Bonds8

About N-[(E)-pentylideneamino]-1,1,1-triphenylmethanamine

N-[(E)-pentylideneamino]-1,1,1-triphenylmethanamine (PubChem CID 13301932) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[(E)-pentylideneamino]-1,1,1-triphenylmethanamine.

Molecular Properties

Compound NameN-[(E)-pentylideneamino]-1,1,1-triphenylmethanamine
PubChem CID13301932
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC NameN-[(E)-pentylideneamino]-1,1,1-triphenylmethanamine
SMILESCCCC/C=N/NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2/c1-2-3-13-20-25-26-24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h4-12,14-20,26H,2-3,13H2,1H3/b25-20+
InChIKeyYUVPEPZFLNMCRO-LKUDQCMESA-N
XLogP5.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tritylpentanamide
CID 71163215
tert-butylbenzene;hexane
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N-[(E)-[(5Z)-5-(phenylhydrazinylidene)pentylidene]amino]aniline
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(E)-N-diphenylphosphorylheptan-1-imine
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N-benzyldecan-1-imine
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4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline
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N-[(E)-octadecylideneamino]-1,3-benzothiazol-2-amine
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1,1-diphenylpentan-1-amine
CID 10263654
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2-phenyldeca-3,4-dien-2-ol
CID 10988074

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pentylideneamino]-1,1,1-triphenylmethanamine?
The IUPAC name of N-[(E)-pentylideneamino]-1,1,1-triphenylmethanamine (CID 13301932) is N-[(E)-pentylideneamino]-1,1,1-triphenylmethanamine.
What is the SMILES notation for N-[(E)-pentylideneamino]-1,1,1-triphenylmethanamine?
The canonical SMILES for N-[(E)-pentylideneamino]-1,1,1-triphenylmethanamine is CCCC/C=N/NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-pentylideneamino]-1,1,1-triphenylmethanamine?
The InChIKey is YUVPEPZFLNMCRO-LKUDQCMESA-N. The full InChI is InChI=1S/C24H26N2/c1-2-3-13-20-25-26-24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h4-12,14-20,26H,2-3,13H2,1H3/b25-20+.
What are the key properties of N-[(E)-pentylideneamino]-1,1,1-triphenylmethanamine?
N-[(E)-pentylideneamino]-1,1,1-triphenylmethanamine has a molecular weight of 342.49 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pentylideneamino]-1,1,1-triphenylmethanamine is sourced from PubChem (CID 13301932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).