3,5-dimethyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline

C13H20N2 — CID 115095460

IUPAC3,5-dimethyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline
SMILESCc1cccc2c1N(C(C)C)C(C)CN2
InChIInChI=1S/C13H20N2/c1-9(2)15-11(4)8-14-12-7-5-6-10(3)13(12)15/h5-7,9,11,14H,8H2,1-4H3
InChIKeyCAKZOCWNDRSZQT-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.02
Rot. Bonds1

About 3,5-dimethyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline

3,5-dimethyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline (PubChem CID 115095460) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline
PubChem CID115095460
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3,5-dimethyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline
SMILESCc1cccc2c1N(C(C)C)C(C)CN2
InChIInChI=1S/C13H20N2/c1-9(2)15-11(4)8-14-12-7-5-6-10(3)13(12)15/h5-7,9,11,14H,8H2,1-4H3
InChIKeyCAKZOCWNDRSZQT-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

5-methyl-1-propan-2-ylimidazolidin-2-one
CID 166718631
8-fluoro-3-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 115095572
3,8-dimethyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 115095002
5-methyl-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097965
(4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine
CID 115096491
2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79001888
2-methyl-3-(4-methyl-2,3-dihydro-1H-indol-3-yl)propanoic acid
CID 117199572
methyl 3,4-dimethyl-2,3-dihydro-1H-quinoxaline-5-carboxylate
CID 115096466
1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
CID 82393197
2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 114827412
tert-butyl (3S)-3,6-dimethyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate
CID 95757305
5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097275

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 3,5-dimethyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline (CID 115095460) is 3,5-dimethyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline is Cc1cccc2c1N(C(C)C)C(C)CN2.
What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline?
The InChIKey is CAKZOCWNDRSZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9(2)15-11(4)8-14-12-7-5-6-10(3)13(12)15/h5-7,9,11,14H,8H2,1-4H3.
What are the key properties of 3,5-dimethyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline?
3,5-dimethyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline has a molecular weight of 204.32 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 115095460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).