3,5-dimethyl-2-propan-2-ylquinoxaline;ethane;prop-1-ene

C18H28N2 — CID 145415743

IUPAC3,5-dimethyl-2-propan-2-ylquinoxaline;ethane;prop-1-ene
SMILESC=CC.CC.Cc1nc2c(C)cccc2nc1C(C)C
InChIInChI=1S/C13H16N2.C3H6.C2H6/c1-8(2)12-10(4)14-13-9(3)6-5-7-11(13)15-12;1-3-2;1-2/h5-8H,1-4H3;3H,1H2,2H3;1-2H3
InChIKeyVWXHAYIXEARUIJ-UHFFFAOYSA-N
MW272.44 g/mol
LogP5.59
Rot. Bonds1

About 3,5-dimethyl-2-propan-2-ylquinoxaline;ethane;prop-1-ene

3,5-dimethyl-2-propan-2-ylquinoxaline;ethane;prop-1-ene (PubChem CID 145415743) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 3,5-dimethyl-2-propan-2-ylquinoxaline;ethane;prop-1-ene.

Molecular Properties

Compound Name3,5-dimethyl-2-propan-2-ylquinoxaline;ethane;prop-1-ene
PubChem CID145415743
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name3,5-dimethyl-2-propan-2-ylquinoxaline;ethane;prop-1-ene
SMILESC=CC.CC.Cc1nc2c(C)cccc2nc1C(C)C
InChIInChI=1S/C13H16N2.C3H6.C2H6/c1-8(2)12-10(4)14-13-9(3)6-5-7-11(13)15-12;1-3-2;1-2/h5-8H,1-4H3;3H,1H2,2H3;1-2H3
InChIKeyVWXHAYIXEARUIJ-UHFFFAOYSA-N
XLogP5.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1-chloroethyl)-5-methyl-3-phenylquinoxaline
CID 89486860
6-fluoro-3-methyl-2-propan-2-ylquinoxaline
CID 90949663
7-bromo-1-methylphenazine
CID 70908217
3-methyl-2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine
CID 168797976
naphthalene;prop-1-ene
CID 22255850
2,3-bis(4-fluorophenyl)-5-methylquinoxaline
CID 5052636
5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium
CID 12745684
2-chloro-5-methyl-3-phenylquinoxaline
CID 86730310
3-chloro-8-methylquinoxaline-2-carbonitrile
CID 12708484
ethyl 3,8-dimethylquinoxaline-2-carboxylate
CID 67396777
1,3-dimethyl-2-[(Z)-prop-1-enyl]benzene;2-methylpropane
CID 143961291
(6-methylphenazin-1-yl) acetate
CID 610919

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-propan-2-ylquinoxaline;ethane;prop-1-ene?
The IUPAC name of 3,5-dimethyl-2-propan-2-ylquinoxaline;ethane;prop-1-ene (CID 145415743) is 3,5-dimethyl-2-propan-2-ylquinoxaline;ethane;prop-1-ene.
What is the SMILES notation for 3,5-dimethyl-2-propan-2-ylquinoxaline;ethane;prop-1-ene?
The canonical SMILES for 3,5-dimethyl-2-propan-2-ylquinoxaline;ethane;prop-1-ene is C=CC.CC.Cc1nc2c(C)cccc2nc1C(C)C.
What is the InChIKey of 3,5-dimethyl-2-propan-2-ylquinoxaline;ethane;prop-1-ene?
The InChIKey is VWXHAYIXEARUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C3H6.C2H6/c1-8(2)12-10(4)14-13-9(3)6-5-7-11(13)15-12;1-3-2;1-2/h5-8H,1-4H3;3H,1H2,2H3;1-2H3.
What are the key properties of 3,5-dimethyl-2-propan-2-ylquinoxaline;ethane;prop-1-ene?
3,5-dimethyl-2-propan-2-ylquinoxaline;ethane;prop-1-ene has a molecular weight of 272.44 g/mol, XLogP of 5.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-propan-2-ylquinoxaline;ethane;prop-1-ene is sourced from PubChem (CID 145415743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).