1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine

C19H20N2 — CID 126115155

IUPAC1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine
SMILESCCn1c(C)cc(/C=N/c2cccc3ccccc23)c1C
InChIInChI=1S/C19H20N2/c1-4-21-14(2)12-17(15(21)3)13-20-19-11-7-9-16-8-5-6-10-18(16)19/h5-13H,4H2,1-3H3/b20-13+
InChIKeyYDBUQYSHOMBHRS-DEDYPNTBSA-N
MW276.38 g/mol
LogP5.03
Rot. Bonds3

About 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine

1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine (PubChem CID 126115155) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine.

Molecular Properties

Compound Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine
PubChem CID126115155
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine
SMILESCCn1c(C)cc(/C=N/c2cccc3ccccc23)c1C
InChIInChI=1S/C19H20N2/c1-4-21-14(2)12-17(15(21)3)13-20-19-11-7-9-16-8-5-6-10-18(16)19/h5-13H,4H2,1-3H3/b20-13+
InChIKeyYDBUQYSHOMBHRS-DEDYPNTBSA-N
XLogP5.03
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.03
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-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(2-fluorophenyl)methanimine
CID 126071933
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine
CID 126109555
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 126101975
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 126113111
N-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine
CID 126081547
1-(2,6-dimethylphenyl)-N-naphthalen-1-ylmethanimine
CID 71530075
N-(4-chloro-3-nitrophenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine
CID 126097836
N-naphthalen-1-yl-1-[4-(naphthalen-1-yliminomethyl)phenyl]methanimine
CID 3811018
N-[2-methyl-4-[3-methyl-4-(naphthalen-1-ylmethylideneamino)phenyl]phenyl]-1-naphthalen-1-ylmethanimine
CID 2195225
N-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine
CID 1381168
4-methyl-2-(naphthalen-1-ylmethylideneamino)phenol
CID 832580
3-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-phenylprop-2-enenitrile
CID 3959154

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine?
The IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine (CID 126115155) is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine.
What is the SMILES notation for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine?
The canonical SMILES for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine is CCn1c(C)cc(/C=N/c2cccc3ccccc23)c1C.
What is the InChIKey of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine?
The InChIKey is YDBUQYSHOMBHRS-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H20N2/c1-4-21-14(2)12-17(15(21)3)13-20-19-11-7-9-16-8-5-6-10-18(16)19/h5-13H,4H2,1-3H3/b20-13+.
What are the key properties of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine?
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine has a molecular weight of 276.38 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine is sourced from PubChem (CID 126115155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).