2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine

C24H38N4 — CID 72569475

IUPAC2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine
SMILESCC(=Nn1c(C(C)C)ccc1C(C)C)C(C)=Nn1c(C(C)C)ccc1C(C)C
InChIInChI=1S/C24H38N4/c1-15(2)21-11-12-22(16(3)4)27(21)25-19(9)20(10)26-28-23(17(5)6)13-14-24(28)18(7)8/h11-18H,1-10H3
InChIKeyBTXFEQUBTIQJCJ-UHFFFAOYSA-N
MW382.60 g/mol
LogP6.93
Rot. Bonds7

About 2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine

2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine (PubChem CID 72569475) has the molecular formula C24H38N4 and a molecular weight of 382.60 g/mol. Its IUPAC name is 2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine.

Molecular Properties

Compound Name2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine
PubChem CID72569475
Molecular FormulaC24H38N4
Molecular Weight382.60 g/mol
Exact Mass382.31
IUPAC Name2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine
SMILESCC(=Nn1c(C(C)C)ccc1C(C)C)C(C)=Nn1c(C(C)C)ccc1C(C)C
InChIInChI=1S/C24H38N4/c1-15(2)21-11-12-22(16(3)4)27(21)25-19(9)20(10)26-28-23(17(5)6)13-14-24(28)18(7)8/h11-18H,1-10H3
InChIKeyBTXFEQUBTIQJCJ-UHFFFAOYSA-N
XLogP6.93
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.60
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(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
3-N-(2,5-diphenylpyrrol-1-yl)-2-N-(2-methyl-5-phenylpyrrol-1-yl)butane-2,3-diimine
CID 72655979
1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;(E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine;2-N,3-N-bis(2,5-diphenylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-diphenylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine;1-N,2-N-bis(2-methyl-5-phenylpyrrol-1-yl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2-methyl-5-phenylpyrrol-1-yl)butane-2,3-diimine;methyl 2-methylpropanoate;nickel(2+)
CID 172939557
2-methyl-1,5-di(propan-2-yl)pyrrole
CID 91672099
(NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine
CID 135574535
1-(1-benzyl-5-propan-2-ylpyrrol-2-yl)ethanone
CID 158790319
cumene;hydrogen peroxide
CID 21225480
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CID 172767405
2-propan-2-yl-1,5-diazabicyclo[2.1.0]penta-2,4-diene
CID 155057395
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CID 142863724
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CID 82524548

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine?
The IUPAC name of 2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine (CID 72569475) is 2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine.
What is the SMILES notation for 2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine?
The canonical SMILES for 2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine is CC(=Nn1c(C(C)C)ccc1C(C)C)C(C)=Nn1c(C(C)C)ccc1C(C)C.
What is the InChIKey of 2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine?
The InChIKey is BTXFEQUBTIQJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4/c1-15(2)21-11-12-22(16(3)4)27(21)25-19(9)20(10)26-28-23(17(5)6)13-14-24(28)18(7)8/h11-18H,1-10H3.
What are the key properties of 2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine?
2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine has a molecular weight of 382.60 g/mol, XLogP of 6.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine is sourced from PubChem (CID 72569475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).