(1E,3E)-2-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylpenta-1,3-dien-1-amine

C18H26N2O — CID 134379190

IUPAC(1E,3E)-2-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylpenta-1,3-dien-1-amine
SMILESCN/C=C(\C=C(/C)N1CCOCC1)c1cc(C)ccc1C
InChIInChI=1S/C18H26N2O/c1-14-5-6-15(2)18(11-14)17(13-19-4)12-16(3)20-7-9-21-10-8-20/h5-6,11-13,19H,7-10H2,1-4H3/b16-12+,17-13+
InChIKeyNSBFVEHANJMRQL-UNZYHPAISA-N
MW286.42 g/mol
LogP3.10
Rot. Bonds4

About (1E,3E)-2-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylpenta-1,3-dien-1-amine

(1E,3E)-2-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylpenta-1,3-dien-1-amine (PubChem CID 134379190) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (1E,3E)-2-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-2-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylpenta-1,3-dien-1-amine
PubChem CID134379190
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(1E,3E)-2-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylpenta-1,3-dien-1-amine
SMILESCN/C=C(\C=C(/C)N1CCOCC1)c1cc(C)ccc1C
InChIInChI=1S/C18H26N2O/c1-14-5-6-15(2)18(11-14)17(13-19-4)12-16(3)20-7-9-21-10-8-20/h5-6,11-13,19H,7-10H2,1-4H3/b16-12+,17-13+
InChIKeyNSBFVEHANJMRQL-UNZYHPAISA-N
XLogP3.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-2-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylpenta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-2-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylpenta-1,3-dien-1-amine (CID 134379190) is (1E,3E)-2-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-2-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-2-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylpenta-1,3-dien-1-amine is CN/C=C(\C=C(/C)N1CCOCC1)c1cc(C)ccc1C.
What is the InChIKey of (1E,3E)-2-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylpenta-1,3-dien-1-amine?
The InChIKey is NSBFVEHANJMRQL-UNZYHPAISA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-5-6-15(2)18(11-14)17(13-19-4)12-16(3)20-7-9-21-10-8-20/h5-6,11-13,19H,7-10H2,1-4H3/b16-12+,17-13+.
What are the key properties of (1E,3E)-2-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylpenta-1,3-dien-1-amine?
(1E,3E)-2-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylpenta-1,3-dien-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-2-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylpenta-1,3-dien-1-amine is sourced from PubChem (CID 134379190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).