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

C17H23N3 — CID 79339623

IUPAC3-methyl-N-propan-2-yl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
SMILESCC(C)NCC(=Cc1cnc2ccccc2n1)C(C)C
InChIInChI=1S/C17H23N3/c1-12(2)14(10-18-13(3)4)9-15-11-19-16-7-5-6-8-17(16)20-15/h5-9,11-13,18H,10H2,1-4H3
InChIKeyCMAXPEJEJMPYJB-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.67
Rot. Bonds5

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

3-methyl-N-propan-2-yl-2-(quinoxalin-2-ylmethylidene)butan-1-amine (PubChem CID 79339623) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-2-(quinoxalin-2-ylmethylidene)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
PubChem CID79339623
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-methyl-N-propan-2-yl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
SMILESCC(C)NCC(=Cc1cnc2ccccc2n1)C(C)C
InChIInChI=1S/C17H23N3/c1-12(2)14(10-18-13(3)4)9-15-11-19-16-7-5-6-8-17(16)20-15/h5-9,11-13,18H,10H2,1-4H3
InChIKeyCMAXPEJEJMPYJB-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-2-(quinoxalin-2-ylmethylidene)butan-1-amine?
The IUPAC name of 3-methyl-N-propan-2-yl-2-(quinoxalin-2-ylmethylidene)butan-1-amine (CID 79339623) is 3-methyl-N-propan-2-yl-2-(quinoxalin-2-ylmethylidene)butan-1-amine.
What is the SMILES notation for 3-methyl-N-propan-2-yl-2-(quinoxalin-2-ylmethylidene)butan-1-amine?
The canonical SMILES for 3-methyl-N-propan-2-yl-2-(quinoxalin-2-ylmethylidene)butan-1-amine is CC(C)NCC(=Cc1cnc2ccccc2n1)C(C)C.
What is the InChIKey of 3-methyl-N-propan-2-yl-2-(quinoxalin-2-ylmethylidene)butan-1-amine?
The InChIKey is CMAXPEJEJMPYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12(2)14(10-18-13(3)4)9-15-11-19-16-7-5-6-8-17(16)20-15/h5-9,11-13,18H,10H2,1-4H3.
What are the key properties of 3-methyl-N-propan-2-yl-2-(quinoxalin-2-ylmethylidene)butan-1-amine?
3-methyl-N-propan-2-yl-2-(quinoxalin-2-ylmethylidene)butan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-2-(quinoxalin-2-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79339623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).