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

C16H25N3 — CID 81246932

IUPAC1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnccc1N1CCCC2CCCCC21
InChIInChI=1S/C16H25N3/c1-17-11-14-12-18-9-8-16(14)19-10-4-6-13-5-2-3-7-15(13)19/h8-9,12-13,15,17H,2-7,10-11H2,1H3
InChIKeyCIICJJMUHOGFMB-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.96
Rot. Bonds3

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

1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 81246932) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine
PubChem CID81246932
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnccc1N1CCCC2CCCCC21
InChIInChI=1S/C16H25N3/c1-17-11-14-12-18-9-8-16(14)19-10-4-6-13-5-2-3-7-15(13)19/h8-9,12-13,15,17H,2-7,10-11H2,1H3
InChIKeyCIICJJMUHOGFMB-UHFFFAOYSA-N
XLogP2.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine
CID 81247229
N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105073329
N-[[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 102728438
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chlorophenyl]-N-methylmethanamine
CID 102727327
(4aR,8aR)-1-[4-(chloromethyl)-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727745
1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81247515
1-[3-(2,3-dimethylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105072555
N-[[4-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81250159
N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105074354
N-methyl-1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-pyridinyl]methanamine
CID 105074260
N-methyl-1-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81248115
1-[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81248353

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine (CID 81246932) is 1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine is CNCc1cnccc1N1CCCC2CCCCC21.
What is the InChIKey of 1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is CIICJJMUHOGFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-17-11-14-12-18-9-8-16(14)19-10-4-6-13-5-2-3-7-15(13)19/h8-9,12-13,15,17H,2-7,10-11H2,1H3.
What are the key properties of 1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine?
1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 259.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 81246932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).