(2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine

C18H24N2 — CID 105379764

IUPAC(2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine
SMILESCCCNC/C(=C/c1ccc2nc(C)ccc2c1)CC
InChIInChI=1S/C18H24N2/c1-4-10-19-13-15(5-2)11-16-7-9-18-17(12-16)8-6-14(3)20-18/h6-9,11-12,19H,4-5,10,13H2,1-3H3/b15-11+
InChIKeyKNHAMHGBPXWRFS-RVDMUPIBSA-N
MW268.40 g/mol
LogP4.34
Rot. Bonds6

About (2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine

(2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine (PubChem CID 105379764) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine.

Molecular Properties

Compound Name(2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine
PubChem CID105379764
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name(2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine
SMILESCCCNC/C(=C/c1ccc2nc(C)ccc2c1)CC
InChIInChI=1S/C18H24N2/c1-4-10-19-13-15(5-2)11-16-7-9-18-17(12-16)8-6-14(3)20-18/h6-9,11-12,19H,4-5,10,13H2,1-3H3/b15-11+
InChIKeyKNHAMHGBPXWRFS-RVDMUPIBSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine?
The IUPAC name of (2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine (CID 105379764) is (2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine.
What is the SMILES notation for (2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine?
The canonical SMILES for (2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine is CCCNC/C(=C/c1ccc2nc(C)ccc2c1)CC.
What is the InChIKey of (2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine?
The InChIKey is KNHAMHGBPXWRFS-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-10-19-13-15(5-2)11-16-7-9-18-17(12-16)8-6-14(3)20-18/h6-9,11-12,19H,4-5,10,13H2,1-3H3/b15-11+.
What are the key properties of (2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine?
(2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine is sourced from PubChem (CID 105379764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).