1-[5-[1-(ethylideneamino)buta-1,3-dien-2-yl]-2-propoxyphenyl]ethanimine

C17H22N2O — CID 123475923

IUPAC1-[5-[1-(ethylideneamino)buta-1,3-dien-2-yl]-2-propoxyphenyl]ethanimine
SMILES[H]/N=C(\C)c1cc(C(C=C)=C/N=C/C)ccc1OCCC
InChIInChI=1S/C17H22N2O/c1-5-10-20-17-9-8-15(11-16(17)13(4)18)14(6-2)12-19-7-3/h6-9,11-12,18H,2,5,10H2,1,3-4H3/b14-12?,18-13+,19-7+
InChIKeyKVUOFIRLSQIXHL-QVJOUNDVSA-N
MW270.38 g/mol
LogP4.48
Rot. Bonds7

About 1-[5-[1-(ethylideneamino)buta-1,3-dien-2-yl]-2-propoxyphenyl]ethanimine

1-[5-[1-(ethylideneamino)buta-1,3-dien-2-yl]-2-propoxyphenyl]ethanimine (PubChem CID 123475923) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[5-[1-(ethylideneamino)buta-1,3-dien-2-yl]-2-propoxyphenyl]ethanimine.

Molecular Properties

Compound Name1-[5-[1-(ethylideneamino)buta-1,3-dien-2-yl]-2-propoxyphenyl]ethanimine
PubChem CID123475923
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[5-[1-(ethylideneamino)buta-1,3-dien-2-yl]-2-propoxyphenyl]ethanimine
SMILES[H]/N=C(\C)c1cc(C(C=C)=C/N=C/C)ccc1OCCC
InChIInChI=1S/C17H22N2O/c1-5-10-20-17-9-8-15(11-16(17)13(4)18)14(6-2)12-19-7-3/h6-9,11-12,18H,2,5,10H2,1,3-4H3/b14-12?,18-13+,19-7+
InChIKeyKVUOFIRLSQIXHL-QVJOUNDVSA-N
XLogP4.48
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
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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Related Compounds

1-(4-methoxy-2-propoxyphenyl)ethanimine
CID 123923522
methyl 3-acetyl-4-propoxybenzoate
CID 18404776
3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016
3-(4-ethanimidoyl-3-propoxyphenoxy)-4-hydroxybutan-2-one
CID 123385953
1-(4-pentoxy-3-prop-2-enylphenyl)ethanone
CID 54849741
3-(4-ethanimidoyl-5-propoxy-2-pyridinyl)-1H-pyridin-2-one
CID 123949712
4-butoxy-3-methylbenzenecarboximidamide
CID 60929965
3-[4-[(3E)-hexa-1,3,5-trien-3-yl]-2-hydroxyphenyl]-N-(3-hydroxy-4-propoxyphenyl)-3-oxopropanamide
CID 143098759
methyl 5-acetyl-2-pentoxybenzoate
CID 121004853
2-[1-(3,4-dipropoxyphenyl)ethylideneamino]guanidine
CID 76872420
methyl 5-iodo-2-propoxybenzoate
CID 69136629
1-(3-ethoxy-4-propoxyphenyl)ethylidenehydrazine
CID 75095312

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(ethylideneamino)buta-1,3-dien-2-yl]-2-propoxyphenyl]ethanimine?
The IUPAC name of 1-[5-[1-(ethylideneamino)buta-1,3-dien-2-yl]-2-propoxyphenyl]ethanimine (CID 123475923) is 1-[5-[1-(ethylideneamino)buta-1,3-dien-2-yl]-2-propoxyphenyl]ethanimine.
What is the SMILES notation for 1-[5-[1-(ethylideneamino)buta-1,3-dien-2-yl]-2-propoxyphenyl]ethanimine?
The canonical SMILES for 1-[5-[1-(ethylideneamino)buta-1,3-dien-2-yl]-2-propoxyphenyl]ethanimine is [H]/N=C(\C)c1cc(C(C=C)=C/N=C/C)ccc1OCCC.
What is the InChIKey of 1-[5-[1-(ethylideneamino)buta-1,3-dien-2-yl]-2-propoxyphenyl]ethanimine?
The InChIKey is KVUOFIRLSQIXHL-QVJOUNDVSA-N. The full InChI is InChI=1S/C17H22N2O/c1-5-10-20-17-9-8-15(11-16(17)13(4)18)14(6-2)12-19-7-3/h6-9,11-12,18H,2,5,10H2,1,3-4H3/b14-12?,18-13+,19-7+.
What are the key properties of 1-[5-[1-(ethylideneamino)buta-1,3-dien-2-yl]-2-propoxyphenyl]ethanimine?
1-[5-[1-(ethylideneamino)buta-1,3-dien-2-yl]-2-propoxyphenyl]ethanimine has a molecular weight of 270.38 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(ethylideneamino)buta-1,3-dien-2-yl]-2-propoxyphenyl]ethanimine is sourced from PubChem (CID 123475923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).