N-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1-(1H-pyrrol-2-yl)ethanimine

C24H28N2 — CID 136753166

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1-(1H-pyrrol-2-yl)ethanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\Cc1ccccc1)c1ccc[nH]1
InChIInChI=1S/C24H28N2/c1-17(2)20-12-8-13-21(18(3)4)24(20)26-23(22-14-9-15-25-22)16-19-10-6-5-7-11-19/h5-15,17-18,25H,16H2,1-4H3/b26-23+
InChIKeyKWWIDVQAGPPNFZ-WNAAXNPUSA-N
MW344.50 g/mol
LogP6.62
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1-(1H-pyrrol-2-yl)ethanimine

N-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1-(1H-pyrrol-2-yl)ethanimine (PubChem CID 136753166) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1-(1H-pyrrol-2-yl)ethanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1-(1H-pyrrol-2-yl)ethanimine
PubChem CID136753166
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1-(1H-pyrrol-2-yl)ethanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\Cc1ccccc1)c1ccc[nH]1
InChIInChI=1S/C24H28N2/c1-17(2)20-12-8-13-21(18(3)4)24(20)26-23(22-14-9-15-25-22)16-19-10-6-5-7-11-19/h5-15,17-18,25H,16H2,1-4H3/b26-23+
InChIKeyKWWIDVQAGPPNFZ-WNAAXNPUSA-N
XLogP6.62
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline
CID 102088416
N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline
CID 101440233
4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide
CID 136791307
N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride
CID 22596623
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);nickel;toluene
CID 139138147
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine
CID 126613596
6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1H-pyridin-2-one
CID 174755855
2-N-(2,6-diethylphenyl)-3-N-[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;nickel
CID 87861081
N,N'-bis[2,6-di(propan-2-yl)phenyl]-1,4-bis[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]butane-1,4-diimine
CID 139120109
1-benzyl-2-propan-2-ylbenzene
CID 13215617

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1-(1H-pyrrol-2-yl)ethanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1-(1H-pyrrol-2-yl)ethanimine (CID 136753166) is N-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1-(1H-pyrrol-2-yl)ethanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1-(1H-pyrrol-2-yl)ethanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1-(1H-pyrrol-2-yl)ethanimine is CC(C)c1cccc(C(C)C)c1/N=C(\Cc1ccccc1)c1ccc[nH]1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1-(1H-pyrrol-2-yl)ethanimine?
The InChIKey is KWWIDVQAGPPNFZ-WNAAXNPUSA-N. The full InChI is InChI=1S/C24H28N2/c1-17(2)20-12-8-13-21(18(3)4)24(20)26-23(22-14-9-15-25-22)16-19-10-6-5-7-11-19/h5-15,17-18,25H,16H2,1-4H3/b26-23+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1-(1H-pyrrol-2-yl)ethanimine?
N-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1-(1H-pyrrol-2-yl)ethanimine has a molecular weight of 344.50 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-phenyl-1-(1H-pyrrol-2-yl)ethanimine is sourced from PubChem (CID 136753166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).