(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-1-[3-[(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-C-methylcarbonimidoyl]phenyl]ethanimine

C30H42N4 — CID 22982995

IUPAC(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-1-[3-[(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-C-methylcarbonimidoyl]phenyl]ethanimine
SMILESC/C(=N\n1c(C(C)C)ccc1C(C)C)c1cccc(/C(C)=N/n2c(C(C)C)ccc2C(C)C)c1
InChIInChI=1S/C30H42N4/c1-19(2)27-14-15-28(20(3)4)33(27)31-23(9)25-12-11-13-26(18-25)24(10)32-34-29(21(5)6)16-17-30(34)22(7)8/h11-22H,1-10H3/b31-23+,32-24+
InChIKeyPEMXLHVHEGQROP-QBRCKEFASA-N
MW458.69 g/mol
LogP8.33
Rot. Bonds8

About (E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-1-[3-[(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-C-methylcarbonimidoyl]phenyl]ethanimine

(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-1-[3-[(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-C-methylcarbonimidoyl]phenyl]ethanimine (PubChem CID 22982995) has the molecular formula C30H42N4 and a molecular weight of 458.69 g/mol. Its IUPAC name is (E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-1-[3-[(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-C-methylcarbonimidoyl]phenyl]ethanimine.

Molecular Properties

Compound Name(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-1-[3-[(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-C-methylcarbonimidoyl]phenyl]ethanimine
PubChem CID22982995
Molecular FormulaC30H42N4
Molecular Weight458.69 g/mol
Exact Mass458.34
IUPAC Name(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-1-[3-[(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-C-methylcarbonimidoyl]phenyl]ethanimine
SMILESC/C(=N\n1c(C(C)C)ccc1C(C)C)c1cccc(/C(C)=N/n2c(C(C)C)ccc2C(C)C)c1
InChIInChI=1S/C30H42N4/c1-19(2)27-14-15-28(20(3)4)33(27)31-23(9)25-12-11-13-26(18-25)24(10)32-34-29(21(5)6)16-17-30(34)22(7)8/h11-22H,1-10H3/b31-23+,32-24+
InChIKeyPEMXLHVHEGQROP-QBRCKEFASA-N
XLogP8.33
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.69
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-1-[3-[(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-C-methylcarbonimidoyl]phenyl]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

2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine
CID 72569475
N-methyl-1-(3-propan-2-ylphenyl)ethanimine
CID 59110491
1-[5-(1-hydroxyethyl)-4-[1-(3-nitrophenyl)ethylideneamino]-1,2,4-triazol-3-yl]ethanol
CID 5100215
(E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine
CID 23568826
(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495
benzene-1,3-dicarboxylic acid;bis(4-methylhexane-1,1-diol)
CID 70538106
1-[3-(5-propan-2-ylpyrazol-1-yl)phenyl]ethanone
CID 84792242
N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine
CID 23936914
3-[3-(3-carboxyphenyl)but-2-en-2-yl]benzoic acid
CID 123649222
1-methyl-3-[(E)-1-[3-[(E)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]ethylideneamino]thiourea
CID 139163904
1-N-(2,6-dibromophenyl)-2-N-[2,6-di(propan-2-yl)phenyl]-1-phenylpropane-1,2-diimine
CID 90084912
4-(2-fluorophenyl)-3-[1-(3-fluorophenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23882903

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-1-[3-[(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-C-methylcarbonimidoyl]phenyl]ethanimine?
The IUPAC name of (E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-1-[3-[(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-C-methylcarbonimidoyl]phenyl]ethanimine (CID 22982995) is (E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-1-[3-[(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-C-methylcarbonimidoyl]phenyl]ethanimine.
What is the SMILES notation for (E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-1-[3-[(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-C-methylcarbonimidoyl]phenyl]ethanimine?
The canonical SMILES for (E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-1-[3-[(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-C-methylcarbonimidoyl]phenyl]ethanimine is C/C(=N\n1c(C(C)C)ccc1C(C)C)c1cccc(/C(C)=N/n2c(C(C)C)ccc2C(C)C)c1.
What is the InChIKey of (E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-1-[3-[(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-C-methylcarbonimidoyl]phenyl]ethanimine?
The InChIKey is PEMXLHVHEGQROP-QBRCKEFASA-N. The full InChI is InChI=1S/C30H42N4/c1-19(2)27-14-15-28(20(3)4)33(27)31-23(9)25-12-11-13-26(18-25)24(10)32-34-29(21(5)6)16-17-30(34)22(7)8/h11-22H,1-10H3/b31-23+,32-24+.
What are the key properties of (E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-1-[3-[(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-C-methylcarbonimidoyl]phenyl]ethanimine?
(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-1-[3-[(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-C-methylcarbonimidoyl]phenyl]ethanimine has a molecular weight of 458.69 g/mol, XLogP of 8.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-1-[3-[(E)-N-[2,5-di(propan-2-yl)pyrrol-1-yl]-C-methylcarbonimidoyl]phenyl]ethanimine is sourced from PubChem (CID 22982995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).