3,3-dimethyl-1-(3-methylquinoxalin-2-yl)-N-propylbutan-2-amine

C18H27N3 — CID 63202147

IUPAC3,3-dimethyl-1-(3-methylquinoxalin-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc2ccccc2nc1C)C(C)(C)C
InChIInChI=1S/C18H27N3/c1-6-11-19-17(18(3,4)5)12-16-13(2)20-14-9-7-8-10-15(14)21-16/h7-10,17,19H,6,11-12H2,1-5H3
InChIKeyKETVBIZNRAMLGB-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.90
Rot. Bonds5

About 3,3-dimethyl-1-(3-methylquinoxalin-2-yl)-N-propylbutan-2-amine

3,3-dimethyl-1-(3-methylquinoxalin-2-yl)-N-propylbutan-2-amine (PubChem CID 63202147) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-methylquinoxalin-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-methylquinoxalin-2-yl)-N-propylbutan-2-amine
PubChem CID63202147
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name3,3-dimethyl-1-(3-methylquinoxalin-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc2ccccc2nc1C)C(C)(C)C
InChIInChI=1S/C18H27N3/c1-6-11-19-17(18(3,4)5)12-16-13(2)20-14-9-7-8-10-15(14)21-16/h7-10,17,19H,6,11-12H2,1-5H3
InChIKeyKETVBIZNRAMLGB-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-methylquinoxalin-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(3-methylquinoxalin-2-yl)-N-propylbutan-2-amine (CID 63202147) is 3,3-dimethyl-1-(3-methylquinoxalin-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(3-methylquinoxalin-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(3-methylquinoxalin-2-yl)-N-propylbutan-2-amine is CCCNC(Cc1nc2ccccc2nc1C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-(3-methylquinoxalin-2-yl)-N-propylbutan-2-amine?
The InChIKey is KETVBIZNRAMLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-11-19-17(18(3,4)5)12-16-13(2)20-14-9-7-8-10-15(14)21-16/h7-10,17,19H,6,11-12H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-(3-methylquinoxalin-2-yl)-N-propylbutan-2-amine?
3,3-dimethyl-1-(3-methylquinoxalin-2-yl)-N-propylbutan-2-amine has a molecular weight of 285.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-methylquinoxalin-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 63202147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).