1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine

C18H23N3 — CID 80638539

IUPAC1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine
SMILESCc1cc(CC(C)N)cnc1N1CCc2ccccc2C1
InChIInChI=1S/C18H23N3/c1-13-9-15(10-14(2)19)11-20-18(13)21-8-7-16-5-3-4-6-17(16)12-21/h3-6,9,11,14H,7-8,10,12,19H2,1-2H3
InChIKeyNWTVGPCGKTXGIK-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.84
Rot. Bonds3

About 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine

1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine (PubChem CID 80638539) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine
PubChem CID80638539
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine
SMILESCc1cc(CC(C)N)cnc1N1CCc2ccccc2C1
InChIInChI=1S/C18H23N3/c1-13-9-15(10-14(2)19)11-20-18(13)21-8-7-16-5-3-4-6-17(16)12-21/h3-6,9,11,14H,7-8,10,12,19H2,1-2H3
InChIKeyNWTVGPCGKTXGIK-UHFFFAOYSA-N
XLogP2.84
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine with MolForge

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Related Compounds

1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
CID 80633144
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridin-3-amine
CID 62476681
3-[5-(chloromethyl)-3-methyl-2-pyridinyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 80628870
1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol
CID 102545058
N-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine
CID 80637891
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile
CID 102545053
1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80634863
1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
CID 80634462
1-[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
CID 80634619
N-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80635931
1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80634466
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133407195

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine (CID 80638539) is 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine is Cc1cc(CC(C)N)cnc1N1CCc2ccccc2C1.
What is the InChIKey of 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine?
The InChIKey is NWTVGPCGKTXGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-9-15(10-14(2)19)11-20-18(13)21-8-7-16-5-3-4-6-17(16)12-21/h3-6,9,11,14H,7-8,10,12,19H2,1-2H3.
What are the key properties of 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine?
1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80638539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).