(4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline

C9H18N2O — CID 92759205

IUPAC(4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
SMILESCO[C@@H]1CC[C@@H]2NCCN[C@@H]2C1
InChIInChI=1S/C9H18N2O/c1-12-7-2-3-8-9(6-7)11-5-4-10-8/h7-11H,2-6H2,1H3/t7-,8+,9-/m1/s1
InChIKeyOHKIYNPQHVZDHR-HRDYMLBCSA-N
MW170.26 g/mol
LogP0.12
Rot. Bonds1

About (4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline

(4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline (PubChem CID 92759205) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline.

Molecular Properties

Compound Name(4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
PubChem CID92759205
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
SMILESCO[C@@H]1CC[C@@H]2NCCN[C@@H]2C1
InChIInChI=1S/C9H18N2O/c1-12-7-2-3-8-9(6-7)11-5-4-10-8/h7-11H,2-6H2,1H3/t7-,8+,9-/m1/s1
InChIKeyOHKIYNPQHVZDHR-HRDYMLBCSA-N
XLogP0.12
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline 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

(4aS,6R,8aS)-6-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 124709188
2-cyclohexyl-4-methoxypiperidine
CID 105451055
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
(4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 129360669
4-methoxy-2-methylpiperidine
CID 23546928
2,4-dimethoxypiperidine
CID 91405913
2,5-diazabicyclo[4.1.0]heptane;hydrochloride
CID 166597473
1,2,4-trimethoxycyclohexane
CID 547386
trans-(1S,3S)-3-methoxycyclopentan-1-ol
CID 97049174
2-cycloheptyl-5-methoxypiperidine
CID 105465440
3-(5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-yl)propanoic acid
CID 170906159
(4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 15650611

Frequently Asked Questions

What is the IUPAC name of (4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
The IUPAC name of (4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline (CID 92759205) is (4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline.
What is the SMILES notation for (4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
The canonical SMILES for (4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline is CO[C@@H]1CC[C@@H]2NCCN[C@@H]2C1.
What is the InChIKey of (4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
The InChIKey is OHKIYNPQHVZDHR-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H18N2O/c1-12-7-2-3-8-9(6-7)11-5-4-10-8/h7-11H,2-6H2,1H3/t7-,8+,9-/m1/s1.
What are the key properties of (4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
(4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline has a molecular weight of 170.26 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline is sourced from PubChem (CID 92759205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).