2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

C17H31N3O — CID 102995140

IUPAC2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
SMILESCCN(CC)CCCN(CC)CC(=O)c1cc(C)[nH]c1C
InChIInChI=1S/C17H31N3O/c1-6-19(7-2)10-9-11-20(8-3)13-17(21)16-12-14(4)18-15(16)5/h12,18H,6-11,13H2,1-5H3
InChIKeyRVBTZSPOMZLAHA-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.87
Rot. Bonds10

About 2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone (PubChem CID 102995140) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
PubChem CID102995140
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
SMILESCCN(CC)CCCN(CC)CC(=O)c1cc(C)[nH]c1C
InChIInChI=1S/C17H31N3O/c1-6-19(7-2)10-9-11-20(8-3)13-17(21)16-12-14(4)18-15(16)5/h12,18H,6-11,13H2,1-5H3
InChIKeyRVBTZSPOMZLAHA-UHFFFAOYSA-N
XLogP2.87
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone (CID 102995140) is 2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone is CCN(CC)CCCN(CC)CC(=O)c1cc(C)[nH]c1C.
What is the InChIKey of 2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The InChIKey is RVBTZSPOMZLAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-19(7-2)10-9-11-20(8-3)13-17(21)16-12-14(4)18-15(16)5/h12,18H,6-11,13H2,1-5H3.
What are the key properties of 2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone has a molecular weight of 293.46 g/mol, XLogP of 2.87, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 102995140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).