3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide

C16H23N3O — CID 63218976

IUPAC3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide
SMILESNCC1CCc2ccccc2N1CCC(=O)NC1CC1
InChIInChI=1S/C16H23N3O/c17-11-14-8-5-12-3-1-2-4-15(12)19(14)10-9-16(20)18-13-6-7-13/h1-4,13-14H,5-11,17H2,(H,18,20)
InChIKeyOIMRHVWNZBYTQY-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.44
Rot. Bonds5

About 3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide

3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide (PubChem CID 63218976) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide
PubChem CID63218976
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide
SMILESNCC1CCc2ccccc2N1CCC(=O)NC1CC1
InChIInChI=1S/C16H23N3O/c17-11-14-8-5-12-3-1-2-4-15(12)19(14)10-9-16(20)18-13-6-7-13/h1-4,13-14H,5-11,17H2,(H,18,20)
InChIKeyOIMRHVWNZBYTQY-UHFFFAOYSA-N
XLogP1.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide
CID 55162347
(1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine
CID 63527317
[1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 107912592
[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 63222371
N-cycloheptyl-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109031533
2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide
CID 63219148
[1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 63218760
[1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 63218851
2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone
CID 63219146
[1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 103180234
N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride
CID 119422356
cis-(1R,3S)-3-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678518

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide (CID 63218976) is 3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide is NCC1CCc2ccccc2N1CCC(=O)NC1CC1.
What is the InChIKey of 3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is OIMRHVWNZBYTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-11-14-8-5-12-3-1-2-4-15(12)19(14)10-9-16(20)18-13-6-7-13/h1-4,13-14H,5-11,17H2,(H,18,20).
What are the key properties of 3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide?
3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 273.38 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 63218976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).