(1Z,3E)-N-(2-methoxyethyl)-N-methyl-1-(methylideneamino)-4-(3-propan-2-ylphenyl)penta-1,3-dien-1-amine

C19H28N2O — CID 167218965

IUPAC(1Z,3E)-N-(2-methoxyethyl)-N-methyl-1-(methylideneamino)-4-(3-propan-2-ylphenyl)penta-1,3-dien-1-amine
SMILESC=N/C(=C\C=C(/C)c1cccc(C(C)C)c1)N(C)CCOC
InChIInChI=1S/C19H28N2O/c1-15(2)17-8-7-9-18(14-17)16(3)10-11-19(20-4)21(5)12-13-22-6/h7-11,14-15H,4,12-13H2,1-3,5-6H3/b16-10+,19-11+
InChIKeyGYASKQRYUQSQFQ-GAZRNQOFSA-N
MW300.45 g/mol
LogP4.33
Rot. Bonds8

About (1Z,3E)-N-(2-methoxyethyl)-N-methyl-1-(methylideneamino)-4-(3-propan-2-ylphenyl)penta-1,3-dien-1-amine

(1Z,3E)-N-(2-methoxyethyl)-N-methyl-1-(methylideneamino)-4-(3-propan-2-ylphenyl)penta-1,3-dien-1-amine (PubChem CID 167218965) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (1Z,3E)-N-(2-methoxyethyl)-N-methyl-1-(methylideneamino)-4-(3-propan-2-ylphenyl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-N-(2-methoxyethyl)-N-methyl-1-(methylideneamino)-4-(3-propan-2-ylphenyl)penta-1,3-dien-1-amine
PubChem CID167218965
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(1Z,3E)-N-(2-methoxyethyl)-N-methyl-1-(methylideneamino)-4-(3-propan-2-ylphenyl)penta-1,3-dien-1-amine
SMILESC=N/C(=C\C=C(/C)c1cccc(C(C)C)c1)N(C)CCOC
InChIInChI=1S/C19H28N2O/c1-15(2)17-8-7-9-18(14-17)16(3)10-11-19(20-4)21(5)12-13-22-6/h7-11,14-15H,4,12-13H2,1-3,5-6H3/b16-10+,19-11+
InChIKeyGYASKQRYUQSQFQ-GAZRNQOFSA-N
XLogP4.33
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-N-(2-methoxyethyl)-N-methyl-1-(methylideneamino)-4-(3-propan-2-ylphenyl)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-N-(2-methoxyethyl)-N-methyl-1-(methylideneamino)-4-(3-propan-2-ylphenyl)penta-1,3-dien-1-amine (CID 167218965) is (1Z,3E)-N-(2-methoxyethyl)-N-methyl-1-(methylideneamino)-4-(3-propan-2-ylphenyl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-N-(2-methoxyethyl)-N-methyl-1-(methylideneamino)-4-(3-propan-2-ylphenyl)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-N-(2-methoxyethyl)-N-methyl-1-(methylideneamino)-4-(3-propan-2-ylphenyl)penta-1,3-dien-1-amine is C=N/C(=C\C=C(/C)c1cccc(C(C)C)c1)N(C)CCOC.
What is the InChIKey of (1Z,3E)-N-(2-methoxyethyl)-N-methyl-1-(methylideneamino)-4-(3-propan-2-ylphenyl)penta-1,3-dien-1-amine?
The InChIKey is GYASKQRYUQSQFQ-GAZRNQOFSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15(2)17-8-7-9-18(14-17)16(3)10-11-19(20-4)21(5)12-13-22-6/h7-11,14-15H,4,12-13H2,1-3,5-6H3/b16-10+,19-11+.
What are the key properties of (1Z,3E)-N-(2-methoxyethyl)-N-methyl-1-(methylideneamino)-4-(3-propan-2-ylphenyl)penta-1,3-dien-1-amine?
(1Z,3E)-N-(2-methoxyethyl)-N-methyl-1-(methylideneamino)-4-(3-propan-2-ylphenyl)penta-1,3-dien-1-amine has a molecular weight of 300.45 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-N-(2-methoxyethyl)-N-methyl-1-(methylideneamino)-4-(3-propan-2-ylphenyl)penta-1,3-dien-1-amine is sourced from PubChem (CID 167218965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).