2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoxaline

C12H18N2 — CID 129153906

IUPAC2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoxaline
SMILESCc1nc2c(nc1C(C)C)CCCC2
InChIInChI=1S/C12H18N2/c1-8(2)12-9(3)13-10-6-4-5-7-11(10)14-12/h8H,4-7H2,1-3H3
InChIKeyAIZHJWOCZIQZQX-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.79
Rot. Bonds1

About 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoxaline

2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoxaline (PubChem CID 129153906) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoxaline.

Molecular Properties

Compound Name2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoxaline
PubChem CID129153906
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoxaline
SMILESCc1nc2c(nc1C(C)C)CCCC2
InChIInChI=1S/C12H18N2/c1-8(2)12-9(3)13-10-6-4-5-7-11(10)14-12/h8H,4-7H2,1-3H3
InChIKeyAIZHJWOCZIQZQX-UHFFFAOYSA-N
XLogP2.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoxaline?
The IUPAC name of 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoxaline (CID 129153906) is 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoxaline.
What is the SMILES notation for 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoxaline?
The canonical SMILES for 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoxaline is Cc1nc2c(nc1C(C)C)CCCC2.
What is the InChIKey of 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoxaline?
The InChIKey is AIZHJWOCZIQZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8(2)12-9(3)13-10-6-4-5-7-11(10)14-12/h8H,4-7H2,1-3H3.
What are the key properties of 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoxaline?
2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoxaline has a molecular weight of 190.29 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoxaline is sourced from PubChem (CID 129153906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).