(4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine

C9H18N2 — CID 54339853

IUPAC(4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine
SMILESCN1CCC[C@H]2NCCC[C@@H]21
InChIInChI=1S/C9H18N2/c1-11-7-3-4-8-9(11)5-2-6-10-8/h8-10H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyTYDLYZLEIVJSSX-BDAKNGLRSA-N
MW154.26 g/mol
LogP0.83
Rot. Bonds

About (4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine

(4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine (PubChem CID 54339853) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine.

Molecular Properties

Compound Name(4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine
PubChem CID54339853
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine
SMILESCN1CCC[C@H]2NCCC[C@@H]21
InChIInChI=1S/C9H18N2/c1-11-7-3-4-8-9(11)5-2-6-10-8/h8-10H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyTYDLYZLEIVJSSX-BDAKNGLRSA-N
XLogP0.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine with MolForge

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Related Compounds

2-(1-methylpyrrolidin-2-yl)piperidine
CID 14810995
2-methyl-2,8-diazabicyclo[5.5.0]dodecane
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(2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane
CID 124718938
4-methyl-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
CID 83479742
(3aS,9aR)-1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydropyrrolo[3,2-b]azocine
CID 73440416
2-(1-methylpyrrolidin-2-yl)piperazine
CID 174931045
2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride
CID 135393059
(1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane
CID 155972992
(2S)-2-[4-(azacyclododec-2-yl)cyclohexyl]-1-methyl-azacyclododecane
CID 90429318
1-(2-fluoroethyl)-2-pyrrolidin-2-ylpyrrolidine
CID 80693813
3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile
CID 62273055
1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine
CID 82892557

Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine?
The IUPAC name of (4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine (CID 54339853) is (4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine.
What is the SMILES notation for (4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine?
The canonical SMILES for (4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine is CN1CCC[C@H]2NCCC[C@@H]21.
What is the InChIKey of (4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine?
The InChIKey is TYDLYZLEIVJSSX-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18N2/c1-11-7-3-4-8-9(11)5-2-6-10-8/h8-10H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of (4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine?
(4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine has a molecular weight of 154.26 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine is sourced from PubChem (CID 54339853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).