3-methyl-2-(quinolin-2-ylmethylamino)butanamide

C15H19N3O — CID 103699285

IUPAC3-methyl-2-(quinolin-2-ylmethylamino)butanamide
SMILESCC(C)C(NCc1ccc2ccccc2n1)C(N)=O
InChIInChI=1S/C15H19N3O/c1-10(2)14(15(16)19)17-9-12-8-7-11-5-3-4-6-13(11)18-12/h3-8,10,14,17H,9H2,1-2H3,(H2,16,19)
InChIKeyHDVQCVAJKLUNCE-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.83
Rot. Bonds5

About 3-methyl-2-(quinolin-2-ylmethylamino)butanamide

3-methyl-2-(quinolin-2-ylmethylamino)butanamide (PubChem CID 103699285) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-methyl-2-(quinolin-2-ylmethylamino)butanamide.

Molecular Properties

Compound Name3-methyl-2-(quinolin-2-ylmethylamino)butanamide
PubChem CID103699285
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-methyl-2-(quinolin-2-ylmethylamino)butanamide
SMILESCC(C)C(NCc1ccc2ccccc2n1)C(N)=O
InChIInChI=1S/C15H19N3O/c1-10(2)14(15(16)19)17-9-12-8-7-11-5-3-4-6-13(11)18-12/h3-8,10,14,17H,9H2,1-2H3,(H2,16,19)
InChIKeyHDVQCVAJKLUNCE-UHFFFAOYSA-N
XLogP1.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate
CID 61141163
2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
CID 54954967
N-(quinolin-2-ylmethyl)butan-2-amine
CID 43183332
3-methyl-2-(pyridin-2-ylmethylamino)butanamide
CID 67707485
(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
CID 93083144
N-(quinolin-2-ylmethyl)pentan-3-amine
CID 28774778
4-methyl-N-(quinolin-2-ylmethyl)pentan-2-amine
CID 43372170
1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 115654305
3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide
CID 103908798
2-[[9-[[(1-carboxy-2-methylpropyl)amino]methyl]-1,10-phenanthrolin-2-yl]methylamino]-3-methylbutanoic acid
CID 15870324
5,5-dimethyl-2-(quinolin-2-ylmethylamino)hexanoic acid
CID 175558784
quinolin-2-ylmethylcarbamothioic S-acid
CID 135200378

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(quinolin-2-ylmethylamino)butanamide?
The IUPAC name of 3-methyl-2-(quinolin-2-ylmethylamino)butanamide (CID 103699285) is 3-methyl-2-(quinolin-2-ylmethylamino)butanamide.
What is the SMILES notation for 3-methyl-2-(quinolin-2-ylmethylamino)butanamide?
The canonical SMILES for 3-methyl-2-(quinolin-2-ylmethylamino)butanamide is CC(C)C(NCc1ccc2ccccc2n1)C(N)=O.
What is the InChIKey of 3-methyl-2-(quinolin-2-ylmethylamino)butanamide?
The InChIKey is HDVQCVAJKLUNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)14(15(16)19)17-9-12-8-7-11-5-3-4-6-13(11)18-12/h3-8,10,14,17H,9H2,1-2H3,(H2,16,19).
What are the key properties of 3-methyl-2-(quinolin-2-ylmethylamino)butanamide?
3-methyl-2-(quinolin-2-ylmethylamino)butanamide has a molecular weight of 257.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(quinolin-2-ylmethylamino)butanamide is sourced from PubChem (CID 103699285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).