N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine

C16H26N4 — CID 102728398

IUPACN-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(N2CCC[C@H]3CCCC[C@H]32)n1
InChIInChI=1S/C16H26N4/c1-2-17-10-14-11-18-12-16(19-14)20-9-5-7-13-6-3-4-8-15(13)20/h11-13,15,17H,2-10H2,1H3/t13-,15-/m1/s1
InChIKeyCPECKQLIFOGISH-UKRRQHHQSA-N
MW274.41 g/mol
LogP2.75
Rot. Bonds4

About N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine

N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine (PubChem CID 102728398) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine
PubChem CID102728398
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine
SMILESCCNCc1cncc(N2CCC[C@H]3CCCC[C@H]32)n1
InChIInChI=1S/C16H26N4/c1-2-17-10-14-11-18-12-16(19-14)20-9-5-7-13-6-3-4-8-15(13)20/h11-13,15,17H,2-10H2,1H3/t13-,15-/m1/s1
InChIKeyCPECKQLIFOGISH-UKRRQHHQSA-N
XLogP2.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 66449156
N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]methyl]ethanamine
CID 82752844
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methanol
CID 82750895
N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 66449329
methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66450885
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-propylpyrazin-2-amine
CID 80842469
N-[[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 102728438
1-[6-(2-cyclopentylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 62294232
N-[[6-(3-methoxypyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 103539323
N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine
CID 102886676
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]hydrazine
CID 80931290
6-(2-cyclobutylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 126828174

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine (CID 102728398) is N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine is CCNCc1cncc(N2CCC[C@H]3CCCC[C@H]32)n1.
What is the InChIKey of N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine?
The InChIKey is CPECKQLIFOGISH-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H26N4/c1-2-17-10-14-11-18-12-16(19-14)20-9-5-7-13-6-3-4-8-15(13)20/h11-13,15,17H,2-10H2,1H3/t13-,15-/m1/s1.
What are the key properties of N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine?
N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine is sourced from PubChem (CID 102728398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).