2,3,6-trimethyl-1,2,3,4,4a,5-hexahydroquinoxaline

C11H18N2 — CID 118595867

IUPAC2,3,6-trimethyl-1,2,3,4,4a,5-hexahydroquinoxaline
SMILESCC1=CC=C2NC(C)C(C)NC2C1
InChIInChI=1S/C11H18N2/c1-7-4-5-10-11(6-7)13-9(3)8(2)12-10/h4-5,8-9,11-13H,6H2,1-3H3
InChIKeyKDIQQKYNFDRMNQ-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.56
Rot. Bonds

About 2,3,6-trimethyl-1,2,3,4,4a,5-hexahydroquinoxaline

2,3,6-trimethyl-1,2,3,4,4a,5-hexahydroquinoxaline (PubChem CID 118595867) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,3,6-trimethyl-1,2,3,4,4a,5-hexahydroquinoxaline.

Molecular Properties

Compound Name2,3,6-trimethyl-1,2,3,4,4a,5-hexahydroquinoxaline
PubChem CID118595867
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2,3,6-trimethyl-1,2,3,4,4a,5-hexahydroquinoxaline
SMILESCC1=CC=C2NC(C)C(C)NC2C1
InChIInChI=1S/C11H18N2/c1-7-4-5-10-11(6-7)13-9(3)8(2)12-10/h4-5,8-9,11-13H,6H2,1-3H3
InChIKeyKDIQQKYNFDRMNQ-UHFFFAOYSA-N
XLogP1.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine
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5-butan-2-yl-1,3,3a,4-tetrahydrobenzimidazol-2-one
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(3S)-1,3-dimethylcyclobutene
CID 58737300
2-fluoro-4-methyl-2,3-dihydropyridine
CID 90817887
(3E,5Z,7E)-3,6-dimethylcyclonona-3,5,7-trien-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-1,2,3,4,4a,5-hexahydroquinoxaline?
The IUPAC name of 2,3,6-trimethyl-1,2,3,4,4a,5-hexahydroquinoxaline (CID 118595867) is 2,3,6-trimethyl-1,2,3,4,4a,5-hexahydroquinoxaline.
What is the SMILES notation for 2,3,6-trimethyl-1,2,3,4,4a,5-hexahydroquinoxaline?
The canonical SMILES for 2,3,6-trimethyl-1,2,3,4,4a,5-hexahydroquinoxaline is CC1=CC=C2NC(C)C(C)NC2C1.
What is the InChIKey of 2,3,6-trimethyl-1,2,3,4,4a,5-hexahydroquinoxaline?
The InChIKey is KDIQQKYNFDRMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-7-4-5-10-11(6-7)13-9(3)8(2)12-10/h4-5,8-9,11-13H,6H2,1-3H3.
What are the key properties of 2,3,6-trimethyl-1,2,3,4,4a,5-hexahydroquinoxaline?
2,3,6-trimethyl-1,2,3,4,4a,5-hexahydroquinoxaline has a molecular weight of 178.28 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-1,2,3,4,4a,5-hexahydroquinoxaline is sourced from PubChem (CID 118595867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).