N-(4-butylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine

C18H24N2 — CID 50853887

IUPACN-(4-butylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
SMILESCCCCc1ccc(/N=C/c2ccn(C(C)C)c2)cc1
InChIInChI=1S/C18H24N2/c1-4-5-6-16-7-9-18(10-8-16)19-13-17-11-12-20(14-17)15(2)3/h7-15H,4-6H2,1-3H3/b19-13+
InChIKeyJMHFPCMZIUICPP-CPNJWEJPSA-N
MW268.40 g/mol
LogP5.16
Rot. Bonds6

About N-(4-butylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine

N-(4-butylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine (PubChem CID 50853887) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
PubChem CID50853887
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-(4-butylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
SMILESCCCCc1ccc(/N=C/c2ccn(C(C)C)c2)cc1
InChIInChI=1S/C18H24N2/c1-4-5-6-16-7-9-18(10-8-16)19-13-17-11-12-20(14-17)15(2)3/h7-15H,4-6H2,1-3H3/b19-13+
InChIKeyJMHFPCMZIUICPP-CPNJWEJPSA-N
XLogP5.16
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
N-(3-chlorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
CID 50853687
N-(3-fluorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
CID 50853782
1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
CID 143730274
N-(4-butylphenyl)-1-(4-phenoxyphenyl)methanimine
CID 71367718
N-(4-butylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126080192
2-chloro-5-[(1-propan-2-ylpyrrol-3-yl)methylideneamino]benzoic acid
CID 50853916
3-[(1-propan-2-ylpyrrol-3-yl)methylideneamino]benzoic acid
CID 50854230
1-(4-pentoxyphenyl)-N-[4-[8-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]octyl]phenyl]methanimine
CID 101084662
4-[(4-decylphenyl)iminomethyl]benzonitrile
CID 21396735
N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine
CID 101243686
1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine
CID 2753464

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine?
The IUPAC name of N-(4-butylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine (CID 50853887) is N-(4-butylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine.
What is the SMILES notation for N-(4-butylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine?
The canonical SMILES for N-(4-butylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine is CCCCc1ccc(/N=C/c2ccn(C(C)C)c2)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine?
The InChIKey is JMHFPCMZIUICPP-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-5-6-16-7-9-18(10-8-16)19-13-17-11-12-20(14-17)15(2)3/h7-15H,4-6H2,1-3H3/b19-13+.
What are the key properties of N-(4-butylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine?
N-(4-butylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine has a molecular weight of 268.40 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine is sourced from PubChem (CID 50853887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).