(Z)-3-(2-methoxyethylimino)-2-(4-methyl-1H-indol-2-yl)prop-1-en-1-amine

C15H19N3O — CID 157048332

IUPAC(Z)-3-(2-methoxyethylimino)-2-(4-methyl-1H-indol-2-yl)prop-1-en-1-amine
SMILESCOCC/N=C/C(=C\N)c1cc2c(C)cccc2[nH]1
InChIInChI=1S/C15H19N3O/c1-11-4-3-5-14-13(11)8-15(18-14)12(9-16)10-17-6-7-19-2/h3-5,8-10,18H,6-7,16H2,1-2H3/b12-9+,17-10+
InChIKeyBMUTUWCRLXGZTA-GRALHKOYSA-N
MW257.34 g/mol
LogP2.49
Rot. Bonds5

About (Z)-3-(2-methoxyethylimino)-2-(4-methyl-1H-indol-2-yl)prop-1-en-1-amine

(Z)-3-(2-methoxyethylimino)-2-(4-methyl-1H-indol-2-yl)prop-1-en-1-amine (PubChem CID 157048332) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (Z)-3-(2-methoxyethylimino)-2-(4-methyl-1H-indol-2-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(2-methoxyethylimino)-2-(4-methyl-1H-indol-2-yl)prop-1-en-1-amine
PubChem CID157048332
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(Z)-3-(2-methoxyethylimino)-2-(4-methyl-1H-indol-2-yl)prop-1-en-1-amine
SMILESCOCC/N=C/C(=C\N)c1cc2c(C)cccc2[nH]1
InChIInChI=1S/C15H19N3O/c1-11-4-3-5-14-13(11)8-15(18-14)12(9-16)10-17-6-7-19-2/h3-5,8-10,18H,6-7,16H2,1-2H3/b12-9+,17-10+
InChIKeyBMUTUWCRLXGZTA-GRALHKOYSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methoxyethylimino)-2-(4-methyl-1H-indol-2-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-3-(2-methoxyethylimino)-2-(4-methyl-1H-indol-2-yl)prop-1-en-1-amine (CID 157048332) is (Z)-3-(2-methoxyethylimino)-2-(4-methyl-1H-indol-2-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-(2-methoxyethylimino)-2-(4-methyl-1H-indol-2-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-(2-methoxyethylimino)-2-(4-methyl-1H-indol-2-yl)prop-1-en-1-amine is COCC/N=C/C(=C\N)c1cc2c(C)cccc2[nH]1.
What is the InChIKey of (Z)-3-(2-methoxyethylimino)-2-(4-methyl-1H-indol-2-yl)prop-1-en-1-amine?
The InChIKey is BMUTUWCRLXGZTA-GRALHKOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-4-3-5-14-13(11)8-15(18-14)12(9-16)10-17-6-7-19-2/h3-5,8-10,18H,6-7,16H2,1-2H3/b12-9+,17-10+.
What are the key properties of (Z)-3-(2-methoxyethylimino)-2-(4-methyl-1H-indol-2-yl)prop-1-en-1-amine?
(Z)-3-(2-methoxyethylimino)-2-(4-methyl-1H-indol-2-yl)prop-1-en-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methoxyethylimino)-2-(4-methyl-1H-indol-2-yl)prop-1-en-1-amine is sourced from PubChem (CID 157048332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).