1-[6-[N-[2-(diphenylphosphanylmethyl)pentyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(3-diphenylphosphanylpropyl)ethanimine

C42H47N3P2 — CID 130233405

IUPAC1-[6-[N-[2-(diphenylphosphanylmethyl)pentyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(3-diphenylphosphanylpropyl)ethanimine
SMILESCCCC(C/N=C(\C)c1cccc(/C(C)=N/CCCP(c2ccccc2)c2ccccc2)n1)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H47N3P2/c1-4-19-36(33-47(39-24-13-7-14-25-39)40-26-15-8-16-27-40)32-44-35(3)42-29-17-28-41(45-42)34(2)43-30-18-31-46(37-20-9-5-10-21-37)38-22-11-6-12-23-38/h5-17,20-29,36H,4,18-19,30-33H2,1-3H3/b43-34+,44-35+
InChIKeyZSAUUXNTPFHZIC-PLJIOEQVSA-N
MW655.81 g/mol
LogP8.77
Rot. Bonds16

About 1-[6-[N-[2-(diphenylphosphanylmethyl)pentyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(3-diphenylphosphanylpropyl)ethanimine

1-[6-[N-[2-(diphenylphosphanylmethyl)pentyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(3-diphenylphosphanylpropyl)ethanimine (PubChem CID 130233405) has the molecular formula C42H47N3P2 and a molecular weight of 655.81 g/mol. Its IUPAC name is 1-[6-[N-[2-(diphenylphosphanylmethyl)pentyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(3-diphenylphosphanylpropyl)ethanimine.

Molecular Properties

Compound Name1-[6-[N-[2-(diphenylphosphanylmethyl)pentyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(3-diphenylphosphanylpropyl)ethanimine
PubChem CID130233405
Molecular FormulaC42H47N3P2
Molecular Weight655.81 g/mol
Exact Mass655.32
IUPAC Name1-[6-[N-[2-(diphenylphosphanylmethyl)pentyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(3-diphenylphosphanylpropyl)ethanimine
SMILESCCCC(C/N=C(\C)c1cccc(/C(C)=N/CCCP(c2ccccc2)c2ccccc2)n1)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H47N3P2/c1-4-19-36(33-47(39-24-13-7-14-25-39)40-26-15-8-16-27-40)32-44-35(3)42-29-17-28-41(45-42)34(2)43-30-18-31-46(37-20-9-5-10-21-37)38-22-11-6-12-23-38/h5-17,20-29,36H,4,18-19,30-33H2,1-3H3/b43-34+,44-35+
InChIKeyZSAUUXNTPFHZIC-PLJIOEQVSA-N
XLogP8.77
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.81
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[6-[N-[2-(diphenylphosphanylmethyl)pentyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(3-diphenylphosphanylpropyl)ethanimine with MolForge

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

Launch Full Analysis

Related Compounds

1-[6-(N-butyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanone
CID 138733924
cobalt;3-[1-[6-[N-(3-diphenylphosphaniumylpropyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]propyl-diphenylphosphanium;propane;hydrochloride
CID 158410528
N-butyl-1-pyridin-2-ylethanimine
CID 583773
4-[1-[6-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylbutan-1-amine;rhodium
CID 140723720
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434
1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine
CID 14907728
1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane
CID 20520952
1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-pent-4-enylethanimine
CID 102031866
14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride
CID 88731911
(2S)-3-diphenylphosphanyl-2-methylpropan-1-ol
CID 101090022
bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
N-hexadecyl-1-phenylethanimine
CID 102417154

Frequently Asked Questions

What is the IUPAC name of 1-[6-[N-[2-(diphenylphosphanylmethyl)pentyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(3-diphenylphosphanylpropyl)ethanimine?
The IUPAC name of 1-[6-[N-[2-(diphenylphosphanylmethyl)pentyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(3-diphenylphosphanylpropyl)ethanimine (CID 130233405) is 1-[6-[N-[2-(diphenylphosphanylmethyl)pentyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(3-diphenylphosphanylpropyl)ethanimine.
What is the SMILES notation for 1-[6-[N-[2-(diphenylphosphanylmethyl)pentyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(3-diphenylphosphanylpropyl)ethanimine?
The canonical SMILES for 1-[6-[N-[2-(diphenylphosphanylmethyl)pentyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(3-diphenylphosphanylpropyl)ethanimine is CCCC(C/N=C(\C)c1cccc(/C(C)=N/CCCP(c2ccccc2)c2ccccc2)n1)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[6-[N-[2-(diphenylphosphanylmethyl)pentyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(3-diphenylphosphanylpropyl)ethanimine?
The InChIKey is ZSAUUXNTPFHZIC-PLJIOEQVSA-N. The full InChI is InChI=1S/C42H47N3P2/c1-4-19-36(33-47(39-24-13-7-14-25-39)40-26-15-8-16-27-40)32-44-35(3)42-29-17-28-41(45-42)34(2)43-30-18-31-46(37-20-9-5-10-21-37)38-22-11-6-12-23-38/h5-17,20-29,36H,4,18-19,30-33H2,1-3H3/b43-34+,44-35+.
What are the key properties of 1-[6-[N-[2-(diphenylphosphanylmethyl)pentyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(3-diphenylphosphanylpropyl)ethanimine?
1-[6-[N-[2-(diphenylphosphanylmethyl)pentyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(3-diphenylphosphanylpropyl)ethanimine has a molecular weight of 655.81 g/mol, XLogP of 8.77, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[N-[2-(diphenylphosphanylmethyl)pentyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(3-diphenylphosphanylpropyl)ethanimine is sourced from PubChem (CID 130233405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).