N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide

C17H23N3O — CID 106250441

IUPACN-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide
SMILESCCC(CC)(CN)CNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H23N3O/c1-3-17(4-2,11-18)12-19-16(21)15-10-9-13-7-5-6-8-14(13)20-15/h5-10H,3-4,11-12,18H2,1-2H3,(H,19,21)
InChIKeyGTKUNHLLIGUFCJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.73
Rot. Bonds6

About N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide

N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide (PubChem CID 106250441) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide
PubChem CID106250441
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide
SMILESCCC(CC)(CN)CNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C17H23N3O/c1-3-17(4-2,11-18)12-19-16(21)15-10-9-13-7-5-6-8-14(13)20-15/h5-10H,3-4,11-12,18H2,1-2H3,(H,19,21)
InChIKeyGTKUNHLLIGUFCJ-UHFFFAOYSA-N
XLogP2.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
CID 115365626
N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide
CID 65115019
2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid
CID 66173370
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[2-(ethylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 9224319
N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide
CID 62517417
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-(4-amino-2-methylbutyl)quinoline-2-carboxamide
CID 66089499
N-(2-chlorobutyl)quinoline-2-carboxamide
CID 113492870
N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide
CID 82724716
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide
CID 106250427

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide (CID 106250441) is N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide is CCC(CC)(CN)CNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide?
The InChIKey is GTKUNHLLIGUFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-17(4-2,11-18)12-19-16(21)15-10-9-13-7-5-6-8-14(13)20-15/h5-10H,3-4,11-12,18H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide?
N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide is sourced from PubChem (CID 106250441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).