(E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine

C17H22N2O — CID 105379788

IUPAC(E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine
SMILESCOCCNC/C(C)=C/c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H22N2O/c1-13(12-18-8-9-20-3)10-15-5-7-17-16(11-15)6-4-14(2)19-17/h4-7,10-11,18H,8-9,12H2,1-3H3/b13-10+
InChIKeyPADNSFDUBSXMJI-JLHYYAGUSA-N
MW270.38 g/mol
LogP3.18
Rot. Bonds6

About (E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine

(E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine (PubChem CID 105379788) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine
PubChem CID105379788
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine
SMILESCOCCNC/C(C)=C/c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H22N2O/c1-13(12-18-8-9-20-3)10-15-5-7-17-16(11-15)6-4-14(2)19-17/h4-7,10-11,18H,8-9,12H2,1-3H3/b13-10+
InChIKeyPADNSFDUBSXMJI-JLHYYAGUSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine
CID 105379786
3-(3,4-difluorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 79337388
(2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine
CID 105379764
(E)-3-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 81156215
N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine
CID 79337069
3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 79337172
N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79344316
(E)-3-methyl-4-(2-methylquinolin-6-yl)but-3-en-2-ol
CID 103091245
N-(2-methoxyethyl)-2-methyl-3-(3-nitrophenyl)prop-2-en-1-amine
CID 79337978
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79338510
(E)-3-(3-chloro-5-fluorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 114455133
N-[(2Z)-2-[(2-methylquinolin-6-yl)methylidene]butyl]cyclopropanamine
CID 105379766

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine?
The IUPAC name of (E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine (CID 105379788) is (E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine is COCCNC/C(C)=C/c1ccc2nc(C)ccc2c1.
What is the InChIKey of (E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine?
The InChIKey is PADNSFDUBSXMJI-JLHYYAGUSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(12-18-8-9-20-3)10-15-5-7-17-16(11-15)6-4-14(2)19-17/h4-7,10-11,18H,8-9,12H2,1-3H3/b13-10+.
What are the key properties of (E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine?
(E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine is sourced from PubChem (CID 105379788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).