N-[4-(but-3-enylideneamino)-1,2,5-trimethylpyrrol-3-yl]-2-methylpropan-1-imine

C15H23N3 — CID 129298804

IUPACN-[4-(but-3-enylideneamino)-1,2,5-trimethylpyrrol-3-yl]-2-methylpropan-1-imine
SMILESC=CC/C=N/c1c(/N=C/C(C)C)c(C)n(C)c1C
InChIInChI=1S/C15H23N3/c1-7-8-9-16-14-12(4)18(6)13(5)15(14)17-10-11(2)3/h7,9-11H,1,8H2,2-6H3/b16-9+,17-10+
InChIKeyFJUYCLLHCIIZBF-CZCYGEDCSA-N
MW245.37 g/mol
LogP4.28
Rot. Bonds5

About N-[4-(but-3-enylideneamino)-1,2,5-trimethylpyrrol-3-yl]-2-methylpropan-1-imine

N-[4-(but-3-enylideneamino)-1,2,5-trimethylpyrrol-3-yl]-2-methylpropan-1-imine (PubChem CID 129298804) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[4-(but-3-enylideneamino)-1,2,5-trimethylpyrrol-3-yl]-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-[4-(but-3-enylideneamino)-1,2,5-trimethylpyrrol-3-yl]-2-methylpropan-1-imine
PubChem CID129298804
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[4-(but-3-enylideneamino)-1,2,5-trimethylpyrrol-3-yl]-2-methylpropan-1-imine
SMILESC=CC/C=N/c1c(/N=C/C(C)C)c(C)n(C)c1C
InChIInChI=1S/C15H23N3/c1-7-8-9-16-14-12(4)18(6)13(5)15(14)17-10-11(2)3/h7,9-11H,1,8H2,2-6H3/b16-9+,17-10+
InChIKeyFJUYCLLHCIIZBF-CZCYGEDCSA-N
XLogP4.28
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(but-3-enylideneamino)-1,2,5-trimethylpyrrol-3-yl]-2-methylpropan-1-imine?
The IUPAC name of N-[4-(but-3-enylideneamino)-1,2,5-trimethylpyrrol-3-yl]-2-methylpropan-1-imine (CID 129298804) is N-[4-(but-3-enylideneamino)-1,2,5-trimethylpyrrol-3-yl]-2-methylpropan-1-imine.
What is the SMILES notation for N-[4-(but-3-enylideneamino)-1,2,5-trimethylpyrrol-3-yl]-2-methylpropan-1-imine?
The canonical SMILES for N-[4-(but-3-enylideneamino)-1,2,5-trimethylpyrrol-3-yl]-2-methylpropan-1-imine is C=CC/C=N/c1c(/N=C/C(C)C)c(C)n(C)c1C.
What is the InChIKey of N-[4-(but-3-enylideneamino)-1,2,5-trimethylpyrrol-3-yl]-2-methylpropan-1-imine?
The InChIKey is FJUYCLLHCIIZBF-CZCYGEDCSA-N. The full InChI is InChI=1S/C15H23N3/c1-7-8-9-16-14-12(4)18(6)13(5)15(14)17-10-11(2)3/h7,9-11H,1,8H2,2-6H3/b16-9+,17-10+.
What are the key properties of N-[4-(but-3-enylideneamino)-1,2,5-trimethylpyrrol-3-yl]-2-methylpropan-1-imine?
N-[4-(but-3-enylideneamino)-1,2,5-trimethylpyrrol-3-yl]-2-methylpropan-1-imine has a molecular weight of 245.37 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(but-3-enylideneamino)-1,2,5-trimethylpyrrol-3-yl]-2-methylpropan-1-imine is sourced from PubChem (CID 129298804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).