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

C17H23N3 — CID 79339967

IUPAC3-methyl-N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
SMILESCCCNCC(=Cc1cnc2ccccc2n1)C(C)C
InChIInChI=1S/C17H23N3/c1-4-9-18-11-14(13(2)3)10-15-12-19-16-7-5-6-8-17(16)20-15/h5-8,10,12-13,18H,4,9,11H2,1-3H3
InChIKeySIACLOSUERLISA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.67
Rot. Bonds6

About 3-methyl-N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine

3-methyl-N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine (PubChem CID 79339967) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-methyl-N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
PubChem CID79339967
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-methyl-N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
SMILESCCCNCC(=Cc1cnc2ccccc2n1)C(C)C
InChIInChI=1S/C17H23N3/c1-4-9-18-11-14(13(2)3)10-15-12-19-16-7-5-6-8-17(16)20-15/h5-8,10,12-13,18H,4,9,11H2,1-3H3
InChIKeySIACLOSUERLISA-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.67
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 3-methyl-N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine?
The IUPAC name of 3-methyl-N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine (CID 79339967) is 3-methyl-N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine is CCCNCC(=Cc1cnc2ccccc2n1)C(C)C.
What is the InChIKey of 3-methyl-N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine?
The InChIKey is SIACLOSUERLISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-9-18-11-14(13(2)3)10-15-12-19-16-7-5-6-8-17(16)20-15/h5-8,10,12-13,18H,4,9,11H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine?
3-methyl-N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79339967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).