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

C15H24N4 — CID 103056944

IUPAC5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(CN2CCC[C@H]3CCCC[C@H]32)cn1
InChIInChI=1S/C15H24N4/c1-16-15-10-17-13(9-18-15)11-19-8-4-6-12-5-2-3-7-14(12)19/h9-10,12,14H,2-8,11H2,1H3,(H,16,18)/t12-,14-/m1/s1
InChIKeyJOUDBSROGNPQDO-TZMCWYRMSA-N
MW260.38 g/mol
LogP2.67
Rot. Bonds3

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

5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine (PubChem CID 103056944) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine
PubChem CID103056944
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(CN2CCC[C@H]3CCCC[C@H]32)cn1
InChIInChI=1S/C15H24N4/c1-16-15-10-17-13(9-18-15)11-19-8-4-6-12-5-2-3-7-14(12)19/h9-10,12,14H,2-8,11H2,1H3,(H,16,18)/t12-,14-/m1/s1
InChIKeyJOUDBSROGNPQDO-TZMCWYRMSA-N
XLogP2.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine
CID 103056156
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-N-methylpyridin-2-amine
CID 79233144
N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056527
N-ethyl-5-[(2-methylpyrrolidin-1-yl)methyl]pyrazin-2-amine
CID 103055350
[5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-pyridinyl]hydrazine
CID 102728191
[5-[(2,3-dimethylpiperidin-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103060476
5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine
CID 106588865
N-methyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056523
N-methyl-5-[(4-propylpiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056267
1-[[5-(ethylamino)pyrazin-2-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 103056191
5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103055739
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-ethylpyridin-4-amine
CID 102728154

Frequently Asked Questions

What is the IUPAC name of 5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine?
The IUPAC name of 5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine (CID 103056944) is 5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine is CNc1cnc(CN2CCC[C@H]3CCCC[C@H]32)cn1.
What is the InChIKey of 5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine?
The InChIKey is JOUDBSROGNPQDO-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H24N4/c1-16-15-10-17-13(9-18-15)11-19-8-4-6-12-5-2-3-7-14(12)19/h9-10,12,14H,2-8,11H2,1H3,(H,16,18)/t12-,14-/m1/s1.
What are the key properties of 5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine?
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine has a molecular weight of 260.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 103056944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).