2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine

C16H25N3 — CID 102725488

IUPAC2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine
SMILESNCC(c1cccnc1)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C16H25N3/c17-11-16(14-6-3-9-18-12-14)19-10-4-7-13-5-1-2-8-15(13)19/h3,6,9,12-13,15-16H,1-2,4-5,7-8,10-11,17H2/t13-,15-,16?/m1/s1
InChIKeyNUJWNDXNTZGIQH-CWSLVUQWSA-N
MW259.40 g/mol
LogP2.74
Rot. Bonds3

About 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine (PubChem CID 102725488) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine
PubChem CID102725488
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine
SMILESNCC(c1cccnc1)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C16H25N3/c17-11-16(14-6-3-9-18-12-14)19-10-4-7-13-5-1-2-8-15(13)19/h3,6,9,12-13,15-16H,1-2,4-5,7-8,10-11,17H2/t13-,15-,16?/m1/s1
InChIKeyNUJWNDXNTZGIQH-CWSLVUQWSA-N
XLogP2.74
TPSA42.15 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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine with MolForge

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Launch Full Analysis

Related Compounds

2-(2-methylpyrrolidin-1-yl)-2-pyridin-3-ylethanamine
CID 60973443
2-(2-ethylpiperidin-1-yl)-2-pyridin-3-ylethanamine
CID 43266319
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-pyridin-3-ylpropan-2-amine
CID 65319111
2-(2,6-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanamine
CID 82041284
(2S)-2-piperidin-1-yl-2-pyridin-3-ylethanamine
CID 30075732
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine
CID 43628049
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyrimidin-4-ylethanamine
CID 65319031
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-methylphenyl)ethanamine
CID 82747736
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 103569643
2-(2-cyclopentylpyrrolidin-1-yl)-2-(3-cyclopropylimidazol-4-yl)ethanamine
CID 66139830
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(3,5-difluorophenyl)ethanamine
CID 106528687
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 65319110

Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine?
The IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine (CID 102725488) is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine.
What is the SMILES notation for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine?
The canonical SMILES for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine is NCC(c1cccnc1)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine?
The InChIKey is NUJWNDXNTZGIQH-CWSLVUQWSA-N. The full InChI is InChI=1S/C16H25N3/c17-11-16(14-6-3-9-18-12-14)19-10-4-7-13-5-1-2-8-15(13)19/h3,6,9,12-13,15-16H,1-2,4-5,7-8,10-11,17H2/t13-,15-,16?/m1/s1.
What are the key properties of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine?
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine has a molecular weight of 259.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 102725488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).