3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide

C15H27N3O — CID 79110051

IUPAC3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide
SMILESCCCC(NCC)c1ccn(CCC(=O)N(C)C)c1
InChIInChI=1S/C15H27N3O/c1-5-7-14(16-6-2)13-8-10-18(12-13)11-9-15(19)17(3)4/h8,10,12,14,16H,5-7,9,11H2,1-4H3
InChIKeyKFWSHHTVJZGIET-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.42
Rot. Bonds8

About 3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide

3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide (PubChem CID 79110051) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide
PubChem CID79110051
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide
SMILESCCCC(NCC)c1ccn(CCC(=O)N(C)C)c1
InChIInChI=1S/C15H27N3O/c1-5-7-14(16-6-2)13-8-10-18(12-13)11-9-15(19)17(3)4/h8,10,12,14,16H,5-7,9,11H2,1-4H3
InChIKeyKFWSHHTVJZGIET-UHFFFAOYSA-N
XLogP2.42
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide (CID 79110051) is 3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide is CCCC(NCC)c1ccn(CCC(=O)N(C)C)c1.
What is the InChIKey of 3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide?
The InChIKey is KFWSHHTVJZGIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-7-14(16-6-2)13-8-10-18(12-13)11-9-15(19)17(3)4/h8,10,12,14,16H,5-7,9,11H2,1-4H3.
What are the key properties of 3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide?
3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide has a molecular weight of 265.40 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 79110051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).