1-(2-aminoethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide

C11H21N3O — CID 19818565

IUPAC1-(2-aminoethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCC1(C)C=C(C(N)=O)C(C)(C)N1CCN
InChIInChI=1S/C11H21N3O/c1-10(2)7-8(9(13)15)11(3,4)14(10)6-5-12/h7H,5-6,12H2,1-4H3,(H2,13,15)
InChIKeyCKTSBWGMWNVUGJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.23
Rot. Bonds3

About 1-(2-aminoethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide

1-(2-aminoethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide (PubChem CID 19818565) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
PubChem CID19818565
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(2-aminoethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCC1(C)C=C(C(N)=O)C(C)(C)N1CCN
InChIInChI=1S/C11H21N3O/c1-10(2)7-8(9(13)15)11(3,4)14(10)6-5-12/h7H,5-6,12H2,1-4H3,(H2,13,15)
InChIKeyCKTSBWGMWNVUGJ-UHFFFAOYSA-N
XLogP0.23
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide (CID 19818565) is 1-(2-aminoethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide is CC1(C)C=C(C(N)=O)C(C)(C)N1CCN.
What is the InChIKey of 1-(2-aminoethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The InChIKey is CKTSBWGMWNVUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10(2)7-8(9(13)15)11(3,4)14(10)6-5-12/h7H,5-6,12H2,1-4H3,(H2,13,15).
What are the key properties of 1-(2-aminoethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
1-(2-aminoethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide has a molecular weight of 211.31 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide is sourced from PubChem (CID 19818565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).