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

C14H21N3O — CID 55162347

IUPAC3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide
SMILESCC(CN1c2ccccc2CCC1CN)C(N)=O
InChIInChI=1S/C14H21N3O/c1-10(14(16)18)9-17-12(8-15)7-6-11-4-2-3-5-13(11)17/h2-5,10,12H,6-9,15H2,1H3,(H2,16,18)
InChIKeyZFHTXOVLRQSCQP-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.89
Rot. Bonds4

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

3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide (PubChem CID 55162347) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide
PubChem CID55162347
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide
SMILESCC(CN1c2ccccc2CCC1CN)C(N)=O
InChIInChI=1S/C14H21N3O/c1-10(14(16)18)9-17-12(8-15)7-6-11-4-2-3-5-13(11)17/h2-5,10,12H,6-9,15H2,1H3,(H2,16,18)
InChIKeyZFHTXOVLRQSCQP-UHFFFAOYSA-N
XLogP0.89
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide
CID 63218976
2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide
CID 63219148
(1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine
CID 63527317
2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone
CID 63219146
[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 63222371
[1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 63218851
3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
CID 79395357
[1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 107912592
1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one
CID 165476705
[1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 63218760
[1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 103180234
3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide
CID 43367984

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide?
The IUPAC name of 3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide (CID 55162347) is 3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide.
What is the SMILES notation for 3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide?
The canonical SMILES for 3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide is CC(CN1c2ccccc2CCC1CN)C(N)=O.
What is the InChIKey of 3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide?
The InChIKey is ZFHTXOVLRQSCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(14(16)18)9-17-12(8-15)7-6-11-4-2-3-5-13(11)17/h2-5,10,12H,6-9,15H2,1H3,(H2,16,18).
What are the key properties of 3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide?
3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide has a molecular weight of 247.34 g/mol, XLogP of 0.89, 4 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]-2-methylpropanamide is sourced from PubChem (CID 55162347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).