2-(aminomethyl)-3-(2-methylquinolin-6-yl)-N-propan-2-ylpropanamide

C17H23N3O — CID 105379040

IUPAC2-(aminomethyl)-3-(2-methylquinolin-6-yl)-N-propan-2-ylpropanamide
SMILESCc1ccc2cc(CC(CN)C(=O)NC(C)C)ccc2n1
InChIInChI=1S/C17H23N3O/c1-11(2)19-17(21)15(10-18)9-13-5-7-16-14(8-13)6-4-12(3)20-16/h4-8,11,15H,9-10,18H2,1-3H3,(H,19,21)
InChIKeyLHXSPWYBZFXYHO-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.19
Rot. Bonds5

About 2-(aminomethyl)-3-(2-methylquinolin-6-yl)-N-propan-2-ylpropanamide

2-(aminomethyl)-3-(2-methylquinolin-6-yl)-N-propan-2-ylpropanamide (PubChem CID 105379040) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2-methylquinolin-6-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2-methylquinolin-6-yl)-N-propan-2-ylpropanamide
PubChem CID105379040
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(aminomethyl)-3-(2-methylquinolin-6-yl)-N-propan-2-ylpropanamide
SMILESCc1ccc2cc(CC(CN)C(=O)NC(C)C)ccc2n1
InChIInChI=1S/C17H23N3O/c1-11(2)19-17(21)15(10-18)9-13-5-7-16-14(8-13)6-4-12(3)20-16/h4-8,11,15H,9-10,18H2,1-3H3,(H,19,21)
InChIKeyLHXSPWYBZFXYHO-UHFFFAOYSA-N
XLogP2.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(aminomethyl)-3-(2-methylquinolin-6-yl)propanoate
CID 105379036
2-(aminomethyl)-N,N-dimethyl-3-(2-methylquinolin-6-yl)propanamide
CID 105379042
2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide
CID 62121929
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 65096529
2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide
CID 62081174
2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide
CID 62083291
2-(aminomethyl)-N-propan-2-yl-3-(4-propoxyphenyl)propanamide
CID 62497613
N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine
CID 81222174
4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one
CID 116596565
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine
CID 105378393
1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine
CID 105378496

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2-methylquinolin-6-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(2-methylquinolin-6-yl)-N-propan-2-ylpropanamide (CID 105379040) is 2-(aminomethyl)-3-(2-methylquinolin-6-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(2-methylquinolin-6-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(2-methylquinolin-6-yl)-N-propan-2-ylpropanamide is Cc1ccc2cc(CC(CN)C(=O)NC(C)C)ccc2n1.
What is the InChIKey of 2-(aminomethyl)-3-(2-methylquinolin-6-yl)-N-propan-2-ylpropanamide?
The InChIKey is LHXSPWYBZFXYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(2)19-17(21)15(10-18)9-13-5-7-16-14(8-13)6-4-12(3)20-16/h4-8,11,15H,9-10,18H2,1-3H3,(H,19,21).
What are the key properties of 2-(aminomethyl)-3-(2-methylquinolin-6-yl)-N-propan-2-ylpropanamide?
2-(aminomethyl)-3-(2-methylquinolin-6-yl)-N-propan-2-ylpropanamide has a molecular weight of 285.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2-methylquinolin-6-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 105379040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).