2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine

C15H21N3O — CID 63377121

IUPAC2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine
SMILESCOCCCN(C)c1cc(CN)nc2ccccc12
InChIInChI=1S/C15H21N3O/c1-18(8-5-9-19-2)15-10-12(11-16)17-14-7-4-3-6-13(14)15/h3-4,6-7,10H,5,8-9,11,16H2,1-2H3
InChIKeyOSYUAZABDWQISS-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.17
Rot. Bonds6

About 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine

2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine (PubChem CID 63377121) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine
PubChem CID63377121
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine
SMILESCOCCCN(C)c1cc(CN)nc2ccccc12
InChIInChI=1S/C15H21N3O/c1-18(8-5-9-19-2)15-10-12(11-16)17-14-7-4-3-6-13(14)15/h3-4,6-7,10H,5,8-9,11,16H2,1-2H3
InChIKeyOSYUAZABDWQISS-UHFFFAOYSA-N
XLogP2.17
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine?
The IUPAC name of 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine (CID 63377121) is 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine is COCCCN(C)c1cc(CN)nc2ccccc12.
What is the InChIKey of 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine?
The InChIKey is OSYUAZABDWQISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18(8-5-9-19-2)15-10-12(11-16)17-14-7-4-3-6-13(14)15/h3-4,6-7,10H,5,8-9,11,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine?
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine has a molecular weight of 259.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine is sourced from PubChem (CID 63377121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).