6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine

C17H27N3 — CID 80789221

IUPAC6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(N2CCC3CCCCC3C2)n1
InChIInChI=1S/C17H27N3/c1-2-11-18-16-8-5-9-17(19-16)20-12-10-14-6-3-4-7-15(14)13-20/h5,8-9,14-15H,2-4,6-7,10-13H2,1H3,(H,18,19)
InChIKeyMMZBMVWVPKWFID-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.92
Rot. Bonds4

About 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine

6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine (PubChem CID 80789221) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine
PubChem CID80789221
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(N2CCC3CCCCC3C2)n1
InChIInChI=1S/C17H27N3/c1-2-11-18-16-8-5-9-17(19-16)20-12-10-14-6-3-4-7-15(14)13-20/h5,8-9,14-15H,2-4,6-7,10-13H2,1H3,(H,18,19)
InChIKeyMMZBMVWVPKWFID-UHFFFAOYSA-N
XLogP3.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine with MolForge

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Related Compounds

1-[6-(propylamino)-2-pyridinyl]pyrrolidin-3-ol
CID 80823342
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine
CID 82752594
6-(3-methylpiperidin-1-yl)-N-propylpyridin-2-amine
CID 80764364
6-(3-ethylpiperidin-1-yl)-N-propylpyridin-2-amine
CID 80793299
6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine
CID 80766785
1-[6-(propylamino)-2-pyridinyl]piperidine-4-carboxamide
CID 80754030
2-(6-chloro-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 63586162
2-(6-fluoro-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 61227818
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80776826
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine
CID 80812470
N-ethyl-6-(3-methylpiperidin-1-yl)pyridin-2-amine
CID 80764174
2-[4-[6-(propylamino)-2-pyridinyl]piperazin-1-yl]ethanol
CID 80779096

Frequently Asked Questions

What is the IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine?
The IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine (CID 80789221) is 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine?
The canonical SMILES for 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine is CCCNc1cccc(N2CCC3CCCCC3C2)n1.
What is the InChIKey of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine?
The InChIKey is MMZBMVWVPKWFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-11-18-16-8-5-9-17(19-16)20-12-10-14-6-3-4-7-15(14)13-20/h5,8-9,14-15H,2-4,6-7,10-13H2,1H3,(H,18,19).
What are the key properties of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine?
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine is sourced from PubChem (CID 80789221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).