N-(3-butoxypropyl)-2-methylquinolin-4-amine

C17H24N2O — CID 112810282

IUPACN-(3-butoxypropyl)-2-methylquinolin-4-amine
SMILESCCCCOCCCNc1cc(C)nc2ccccc12
InChIInChI=1S/C17H24N2O/c1-3-4-11-20-12-7-10-18-17-13-14(2)19-16-9-6-5-8-15(16)17/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,18,19)
InChIKeyGDNOXFSWENXSIU-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.16
Rot. Bonds8

About N-(3-butoxypropyl)-2-methylquinolin-4-amine

N-(3-butoxypropyl)-2-methylquinolin-4-amine (PubChem CID 112810282) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-methylquinolin-4-amine
PubChem CID112810282
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(3-butoxypropyl)-2-methylquinolin-4-amine
SMILESCCCCOCCCNc1cc(C)nc2ccccc12
InChIInChI=1S/C17H24N2O/c1-3-4-11-20-12-7-10-18-17-13-14(2)19-16-9-6-5-8-15(16)17/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,18,19)
InChIKeyGDNOXFSWENXSIU-UHFFFAOYSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.16
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

bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
CID 49431740
2-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-4-amine
CID 71996177
2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide
CID 106239415
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine
CID 63535075
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate
CID 60716333
N,N'-bis(6-butyl-2-methylquinolin-4-yl)butane-1,4-diamine
CID 58807116

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-methylquinolin-4-amine?
The IUPAC name of N-(3-butoxypropyl)-2-methylquinolin-4-amine (CID 112810282) is N-(3-butoxypropyl)-2-methylquinolin-4-amine.
What is the SMILES notation for N-(3-butoxypropyl)-2-methylquinolin-4-amine?
The canonical SMILES for N-(3-butoxypropyl)-2-methylquinolin-4-amine is CCCCOCCCNc1cc(C)nc2ccccc12.
What is the InChIKey of N-(3-butoxypropyl)-2-methylquinolin-4-amine?
The InChIKey is GDNOXFSWENXSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-4-11-20-12-7-10-18-17-13-14(2)19-16-9-6-5-8-15(16)17/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,18,19).
What are the key properties of N-(3-butoxypropyl)-2-methylquinolin-4-amine?
N-(3-butoxypropyl)-2-methylquinolin-4-amine has a molecular weight of 272.39 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-methylquinolin-4-amine is sourced from PubChem (CID 112810282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).