3,5-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoxaline

C13H20N2 — CID 143063262

IUPAC3,5-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoxaline
SMILESCCCc1nc2c(nc1C)C(C)CCC2
InChIInChI=1S/C13H20N2/c1-4-6-11-10(3)14-13-9(2)7-5-8-12(13)15-11/h9H,4-8H2,1-3H3
InChIKeyVNNDUNLEOXULTK-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.18
Rot. Bonds2

About 3,5-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoxaline

3,5-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoxaline (PubChem CID 143063262) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3,5-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoxaline.

Molecular Properties

Compound Name3,5-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoxaline
PubChem CID143063262
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3,5-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoxaline
SMILESCCCc1nc2c(nc1C)C(C)CCC2
InChIInChI=1S/C13H20N2/c1-4-6-11-10(3)14-13-9(2)7-5-8-12(13)15-11/h9H,4-8H2,1-3H3
InChIKeyVNNDUNLEOXULTK-UHFFFAOYSA-N
XLogP3.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5-trimethyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
CID 6429277
2-chloro-5-methyl-5,6,7,8-tetrahydroquinoxaline
CID 21036673
CID 89168297
CID 89168297
ethyl 2-ethyl-8-methyl-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 116532881
4-methyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62956816
(5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline
CID 13308943
2,5-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 170704256
2,5-dimethyl-5,6,7,8-tetrahydroquinoline
CID 13308942
5-bromo-2,3-dimethyl-5,6,7,8-tetrahydroquinoxaline;2,3-dimethyl-5,6,7,8-tetrahydroquinoxaline;tetrachloromethane
CID 158029898
2-chloro-8-methyl-5,6,7,8-tetrahydroquinoline
CID 72743006
1,3-dimethyl-2-propylcyclopentene
CID 143544281
4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline
CID 12798309

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoxaline?
The IUPAC name of 3,5-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoxaline (CID 143063262) is 3,5-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoxaline.
What is the SMILES notation for 3,5-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoxaline?
The canonical SMILES for 3,5-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoxaline is CCCc1nc2c(nc1C)C(C)CCC2.
What is the InChIKey of 3,5-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoxaline?
The InChIKey is VNNDUNLEOXULTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-6-11-10(3)14-13-9(2)7-5-8-12(13)15-11/h9H,4-8H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoxaline?
3,5-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoxaline has a molecular weight of 204.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-propyl-5,6,7,8-tetrahydroquinoxaline is sourced from PubChem (CID 143063262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).