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

C15H21N3O — CID 63008304

IUPAC4-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-2-amine
SMILESCOCCCN(C)c1cc(CN)c2ccccc2n1
InChIInChI=1S/C15H21N3O/c1-18(8-5-9-19-2)15-10-12(11-16)13-6-3-4-7-14(13)17-15/h3-4,6-7,10H,5,8-9,11,16H2,1-2H3
InChIKeyZKGTXJLPKWGIBV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.17
Rot. Bonds6

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

4-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-2-amine (PubChem CID 63008304) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-2-amine
PubChem CID63008304
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-2-amine
SMILESCOCCCN(C)c1cc(CN)c2ccccc2n1
InChIInChI=1S/C15H21N3O/c1-18(8-5-9-19-2)15-10-12(11-16)13-6-3-4-7-14(13)17-15/h3-4,6-7,10H,5,8-9,11,16H2,1-2H3
InChIKeyZKGTXJLPKWGIBV-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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Related Compounds

4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine
CID 62285875
4-(aminomethyl)-N-methyl-N-propylquinolin-2-amine
CID 62300858
[2-[2-methoxyethyl(methyl)amino]quinolin-4-yl]methanol
CID 61427550
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine
CID 63377121
4-(aminomethyl)-N,N-dimethylquinolin-2-amine
CID 56828443
[4-[3-methoxypropyl(methyl)amino]quinolin-2-yl]methanol
CID 63375970
N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)quinolin-2-amine
CID 62288336
2-[2-methoxyethyl(methyl)amino]quinoline-4-carbothioamide
CID 63885735
N'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63701145
4-(aminomethyl)-N,N-diethylquinolin-2-amine
CID 62299448
4-(aminomethyl)-N-cyclopropyl-N-propylquinolin-2-amine
CID 62299647
6-(aminomethyl)-N-(3-methoxypropyl)-N-methylpyrazin-2-amine
CID 66450103

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-2-amine (CID 63008304) is 4-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-2-amine is COCCCN(C)c1cc(CN)c2ccccc2n1.
What is the InChIKey of 4-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-2-amine?
The InChIKey is ZKGTXJLPKWGIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18(8-5-9-19-2)15-10-12(11-16)13-6-3-4-7-14(13)17-15/h3-4,6-7,10H,5,8-9,11,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-2-amine?
4-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-2-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 4-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-2-amine is sourced from PubChem (CID 63008304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).