N-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine

C17H23N3 — CID 79329122

IUPACN-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
SMILESCCC(=Cc1cnc2ccccc2n1)CNC(C)(C)C
InChIInChI=1S/C17H23N3/c1-5-13(11-19-17(2,3)4)10-14-12-18-15-8-6-7-9-16(15)20-14/h6-10,12,19H,5,11H2,1-4H3
InChIKeyUTPREEXORFEBAY-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.81
Rot. Bonds4

About N-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine

N-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine (PubChem CID 79329122) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
PubChem CID79329122
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
SMILESCCC(=Cc1cnc2ccccc2n1)CNC(C)(C)C
InChIInChI=1S/C17H23N3/c1-5-13(11-19-17(2,3)4)10-14-12-18-15-8-6-7-9-16(15)20-14/h6-10,12,19H,5,11H2,1-4H3
InChIKeyUTPREEXORFEBAY-UHFFFAOYSA-N
XLogP3.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine?
The IUPAC name of N-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine (CID 79329122) is N-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine is CCC(=Cc1cnc2ccccc2n1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine?
The InChIKey is UTPREEXORFEBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-5-13(11-19-17(2,3)4)10-14-12-18-15-8-6-7-9-16(15)20-14/h6-10,12,19H,5,11H2,1-4H3.
What are the key properties of N-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine?
N-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79329122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).