2-(quinoxalin-2-ylmethylidene)butan-1-amine

C13H15N3 — CID 79321688

IUPAC2-(quinoxalin-2-ylmethylidene)butan-1-amine
SMILESCCC(=Cc1cnc2ccccc2n1)CN
InChIInChI=1S/C13H15N3/c1-2-10(8-14)7-11-9-15-12-5-3-4-6-13(12)16-11/h3-7,9H,2,8,14H2,1H3
InChIKeyDUISTOQHKHDLDV-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.38
Rot. Bonds3

About 2-(quinoxalin-2-ylmethylidene)butan-1-amine

2-(quinoxalin-2-ylmethylidene)butan-1-amine (PubChem CID 79321688) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(quinoxalin-2-ylmethylidene)butan-1-amine.

Molecular Properties

Compound Name2-(quinoxalin-2-ylmethylidene)butan-1-amine
PubChem CID79321688
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-(quinoxalin-2-ylmethylidene)butan-1-amine
SMILESCCC(=Cc1cnc2ccccc2n1)CN
InChIInChI=1S/C13H15N3/c1-2-10(8-14)7-11-9-15-12-5-3-4-6-13(12)16-11/h3-7,9H,2,8,14H2,1H3
InChIKeyDUISTOQHKHDLDV-UHFFFAOYSA-N
XLogP2.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(quinoxalin-2-ylmethylidene)butan-1-amine?
The IUPAC name of 2-(quinoxalin-2-ylmethylidene)butan-1-amine (CID 79321688) is 2-(quinoxalin-2-ylmethylidene)butan-1-amine.
What is the SMILES notation for 2-(quinoxalin-2-ylmethylidene)butan-1-amine?
The canonical SMILES for 2-(quinoxalin-2-ylmethylidene)butan-1-amine is CCC(=Cc1cnc2ccccc2n1)CN.
What is the InChIKey of 2-(quinoxalin-2-ylmethylidene)butan-1-amine?
The InChIKey is DUISTOQHKHDLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-10(8-14)7-11-9-15-12-5-3-4-6-13(12)16-11/h3-7,9H,2,8,14H2,1H3.
What are the key properties of 2-(quinoxalin-2-ylmethylidene)butan-1-amine?
2-(quinoxalin-2-ylmethylidene)butan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinoxalin-2-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79321688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).