2-[butan-2-yl(butyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C17H30N2O — CID 60649990

IUPAC2-[butan-2-yl(butyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCCCCN(CC(=O)c1cc(C)n(C)c1C)C(C)CC
InChIInChI=1S/C17H30N2O/c1-7-9-10-19(13(3)8-2)12-17(20)16-11-14(4)18(6)15(16)5/h11,13H,7-10,12H2,1-6H3
InChIKeyTWUXHFVOXVNDIJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.73
Rot. Bonds8

About 2-[butan-2-yl(butyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-[butan-2-yl(butyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 60649990) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[butan-2-yl(butyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[butan-2-yl(butyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID60649990
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-[butan-2-yl(butyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCCCCN(CC(=O)c1cc(C)n(C)c1C)C(C)CC
InChIInChI=1S/C17H30N2O/c1-7-9-10-19(13(3)8-2)12-17(20)16-11-14(4)18(6)15(16)5/h11,13H,7-10,12H2,1-6H3
InChIKeyTWUXHFVOXVNDIJ-UHFFFAOYSA-N
XLogP3.73
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(butyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[butan-2-yl(butyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 60649990) is 2-[butan-2-yl(butyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[butan-2-yl(butyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[butan-2-yl(butyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is CCCCN(CC(=O)c1cc(C)n(C)c1C)C(C)CC.
What is the InChIKey of 2-[butan-2-yl(butyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is TWUXHFVOXVNDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-7-9-10-19(13(3)8-2)12-17(20)16-11-14(4)18(6)15(16)5/h11,13H,7-10,12H2,1-6H3.
What are the key properties of 2-[butan-2-yl(butyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-[butan-2-yl(butyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 278.44 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(butyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 60649990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).