(Z)-N-ethenyl-1-(1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)but-2-en-2-amine

C19H24N2 — CID 142974198

IUPAC(Z)-N-ethenyl-1-(1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)but-2-en-2-amine
SMILESC=CN/C(=C\C)C(c1ccc[nH]1)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H24N2/c1-6-16(20-7-2)19(17-9-8-10-21-17)18-14(4)11-13(3)12-15(18)5/h6-12,19-21H,2H2,1,3-5H3/b16-6-
InChIKeyHVGJGKJEUSDTBM-SOFYXZRVSA-N
MW280.42 g/mol
LogP4.71
Rot. Bonds5

About (Z)-N-ethenyl-1-(1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)but-2-en-2-amine

(Z)-N-ethenyl-1-(1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)but-2-en-2-amine (PubChem CID 142974198) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is (Z)-N-ethenyl-1-(1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-ethenyl-1-(1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)but-2-en-2-amine
PubChem CID142974198
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name(Z)-N-ethenyl-1-(1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)but-2-en-2-amine
SMILESC=CN/C(=C\C)C(c1ccc[nH]1)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H24N2/c1-6-16(20-7-2)19(17-9-8-10-21-17)18-14(4)11-13(3)12-15(18)5/h6-12,19-21H,2H2,1,3-5H3/b16-6-
InChIKeyHVGJGKJEUSDTBM-SOFYXZRVSA-N
XLogP4.71
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-1-(1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)but-2-en-2-amine?
The IUPAC name of (Z)-N-ethenyl-1-(1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)but-2-en-2-amine (CID 142974198) is (Z)-N-ethenyl-1-(1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)but-2-en-2-amine.
What is the SMILES notation for (Z)-N-ethenyl-1-(1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)but-2-en-2-amine?
The canonical SMILES for (Z)-N-ethenyl-1-(1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)but-2-en-2-amine is C=CN/C(=C\C)C(c1ccc[nH]1)c1c(C)cc(C)cc1C.
What is the InChIKey of (Z)-N-ethenyl-1-(1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)but-2-en-2-amine?
The InChIKey is HVGJGKJEUSDTBM-SOFYXZRVSA-N. The full InChI is InChI=1S/C19H24N2/c1-6-16(20-7-2)19(17-9-8-10-21-17)18-14(4)11-13(3)12-15(18)5/h6-12,19-21H,2H2,1,3-5H3/b16-6-.
What are the key properties of (Z)-N-ethenyl-1-(1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)but-2-en-2-amine?
(Z)-N-ethenyl-1-(1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)but-2-en-2-amine has a molecular weight of 280.42 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-1-(1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)but-2-en-2-amine is sourced from PubChem (CID 142974198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).