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

C16H21N3 — CID 79330093

IUPACN-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
SMILESCCCNCC(=Cc1cnc2ccccc2n1)CC
InChIInChI=1S/C16H21N3/c1-3-9-17-11-13(4-2)10-14-12-18-15-7-5-6-8-16(15)19-14/h5-8,10,12,17H,3-4,9,11H2,1-2H3
InChIKeyNXAANRGHVHJSOE-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.42
Rot. Bonds6

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

N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine (PubChem CID 79330093) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine.

Molecular Properties

Compound NameN-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
PubChem CID79330093
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
SMILESCCCNCC(=Cc1cnc2ccccc2n1)CC
InChIInChI=1S/C16H21N3/c1-3-9-17-11-13(4-2)10-14-12-18-15-7-5-6-8-16(15)19-14/h5-8,10,12,17H,3-4,9,11H2,1-2H3
InChIKeyNXAANRGHVHJSOE-UHFFFAOYSA-N
XLogP3.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine?
The IUPAC name of N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine (CID 79330093) is N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine.
What is the SMILES notation for N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine?
The canonical SMILES for N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine is CCCNCC(=Cc1cnc2ccccc2n1)CC.
What is the InChIKey of N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine?
The InChIKey is NXAANRGHVHJSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-9-17-11-13(4-2)10-14-12-18-15-7-5-6-8-16(15)19-14/h5-8,10,12,17H,3-4,9,11H2,1-2H3.
What are the key properties of N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine?
N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79330093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).