N-(2-methoxyethyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-amine

C17H26N2O — CID 79338765

IUPACN-(2-methoxyethyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-amine
SMILESCCC(=Cc1ccc2c(c1)CCN2C)CNCCOC
InChIInChI=1S/C17H26N2O/c1-4-14(13-18-8-10-20-3)11-15-5-6-17-16(12-15)7-9-19(17)2/h5-6,11-12,18H,4,7-10,13H2,1-3H3
InChIKeyDZVURXIYXZWDHE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.71
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-amine

N-(2-methoxyethyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-amine (PubChem CID 79338765) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-amine
PubChem CID79338765
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2-methoxyethyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-amine
SMILESCCC(=Cc1ccc2c(c1)CCN2C)CNCCOC
InChIInChI=1S/C17H26N2O/c1-4-14(13-18-8-10-20-3)11-15-5-6-17-16(12-15)7-9-19(17)2/h5-6,11-12,18H,4,7-10,13H2,1-3H3
InChIKeyDZVURXIYXZWDHE-UHFFFAOYSA-N
XLogP2.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341727
N-(2-methoxyethyl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 64867290
N-(2-methoxyethyl)-2-[(3-propoxyphenyl)methylidene]butan-1-amine
CID 79339046
2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341716
(E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine
CID 103091685
2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79338857
2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79338864
2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79339677
4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 104625143
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 104860914
2-[(5-bromo-2-propoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341715
2-[(3-bromo-4-methoxyphenyl)methylidene]-N-propylbutan-1-amine
CID 79328867

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-amine (CID 79338765) is N-(2-methoxyethyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-amine is CCC(=Cc1ccc2c(c1)CCN2C)CNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-amine?
The InChIKey is DZVURXIYXZWDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-14(13-18-8-10-20-3)11-15-5-6-17-16(12-15)7-9-19(17)2/h5-6,11-12,18H,4,7-10,13H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-amine?
N-(2-methoxyethyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-amine is sourced from PubChem (CID 79338765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).