1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine

C16H24ClN3 — CID 62282097

IUPAC1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCC3CCCCC3C2)c(Cl)c1
InChIInChI=1S/C16H24ClN3/c1-18-9-12-8-15(17)16(19-10-12)20-7-6-13-4-2-3-5-14(13)11-20/h8,10,13-14,18H,2-7,9,11H2,1H3
InChIKeyKBJDHYWIODCGSF-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.47
Rot. Bonds3

About 1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine

1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine (PubChem CID 62282097) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine
PubChem CID62282097
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCC3CCCCC3C2)c(Cl)c1
InChIInChI=1S/C16H24ClN3/c1-18-9-12-8-15(17)16(19-10-12)20-7-6-13-4-2-3-5-14(13)11-20/h8,10,13-14,18H,2-7,9,11H2,1H3
InChIKeyKBJDHYWIODCGSF-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine with MolForge

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Launch Full Analysis

Related Compounds

1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
CID 62281867
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 115562045
N-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine
CID 81200310
N-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 103502958
N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62285951
2-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]ethanamine
CID 80634126
N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62286936
1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80636278
N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62287828
N-[[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 63151278
N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine
CID 102728376
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)phenyl]-N-methylmethanamine
CID 43620591

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine (CID 62282097) is 1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(N2CCC3CCCCC3C2)c(Cl)c1.
What is the InChIKey of 1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine?
The InChIKey is KBJDHYWIODCGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-18-9-12-8-15(17)16(19-10-12)20-7-6-13-4-2-3-5-14(13)11-20/h8,10,13-14,18H,2-7,9,11H2,1H3.
What are the key properties of 1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine?
1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine has a molecular weight of 293.84 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62282097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).