2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;hydrochloride

C10H21ClN2 — CID 54599179

IUPAC2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;hydrochloride
SMILESCC1NC2CCCCC2NC1C.Cl
InChIInChI=1S/C10H20N2.ClH/c1-7-8(2)12-10-6-4-3-5-9(10)11-7;/h7-12H,3-6H2,1-2H3;1H
InChIKeyBHNBPLNUNUMSPY-UHFFFAOYSA-N
MW204.74 g/mol
LogP1.69
Rot. Bonds

About 2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;hydrochloride

2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;hydrochloride (PubChem CID 54599179) has the molecular formula C10H21ClN2 and a molecular weight of 204.74 g/mol. Its IUPAC name is 2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;hydrochloride.

Molecular Properties

Compound Name2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;hydrochloride
PubChem CID54599179
Molecular FormulaC10H21ClN2
Molecular Weight204.74 g/mol
Exact Mass204.14
IUPAC Name2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;hydrochloride
SMILESCC1NC2CCCCC2NC1C.Cl
InChIInChI=1S/C10H20N2.ClH/c1-7-8(2)12-10-6-4-3-5-9(10)11-7;/h7-12H,3-6H2,1-2H3;1H
InChIKeyBHNBPLNUNUMSPY-UHFFFAOYSA-N
XLogP1.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;hydrochloride?
The IUPAC name of 2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;hydrochloride (CID 54599179) is 2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;hydrochloride.
What is the SMILES notation for 2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;hydrochloride?
The canonical SMILES for 2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;hydrochloride is CC1NC2CCCCC2NC1C.Cl.
What is the InChIKey of 2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;hydrochloride?
The InChIKey is BHNBPLNUNUMSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.ClH/c1-7-8(2)12-10-6-4-3-5-9(10)11-7;/h7-12H,3-6H2,1-2H3;1H.
What are the key properties of 2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;hydrochloride?
2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;hydrochloride has a molecular weight of 204.74 g/mol, XLogP of 1.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;hydrochloride is sourced from PubChem (CID 54599179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).