3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine

C17H25N3 — CID 102913999

IUPAC3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC(C(C)C)C(C)C
InChIInChI=1S/C17H25N3/c1-11(2)14(12(3)4)10-18-17-13(5)19-15-8-6-7-9-16(15)20-17/h6-9,11-12,14H,10H2,1-5H3,(H,18,20)
InChIKeyARYIIJGQPDYMRK-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.28
Rot. Bonds5

About 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine

3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine (PubChem CID 102913999) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine
PubChem CID102913999
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC(C(C)C)C(C)C
InChIInChI=1S/C17H25N3/c1-11(2)14(12(3)4)10-18-17-13(5)19-15-8-6-7-9-16(15)20-17/h6-9,11-12,14H,10H2,1-5H3,(H,18,20)
InChIKeyARYIIJGQPDYMRK-UHFFFAOYSA-N
XLogP4.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine (CID 102913999) is 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine is Cc1nc2ccccc2nc1NCC(C(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine?
The InChIKey is ARYIIJGQPDYMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-11(2)14(12(3)4)10-18-17-13(5)19-15-8-6-7-9-16(15)20-17/h6-9,11-12,14H,10H2,1-5H3,(H,18,20).
What are the key properties of 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine?
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine has a molecular weight of 271.41 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine is sourced from PubChem (CID 102913999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).