N-(2-aminoethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

C11H21N3O — CID 14305435

IUPACN-(2-aminoethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCCN)C(C)(C)N1
InChIInChI=1S/C11H21N3O/c1-10(2)7-8(11(3,4)14-10)9(15)13-6-5-12/h7,14H,5-6,12H2,1-4H3,(H,13,15)
InChIKeyYNJVFBXTZJKHDG-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.15
Rot. Bonds3

About N-(2-aminoethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

N-(2-aminoethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide (PubChem CID 14305435) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
PubChem CID14305435
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(2-aminoethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCCN)C(C)(C)N1
InChIInChI=1S/C11H21N3O/c1-10(2)7-8(11(3,4)14-10)9(15)13-6-5-12/h7,14H,5-6,12H2,1-4H3,(H,13,15)
InChIKeyYNJVFBXTZJKHDG-UHFFFAOYSA-N
XLogP0.15
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrrole-3-carboxamide, 2,5-dihydro-2,2,5,5-tetramethyl-
CID 88255
N-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
CID 14305438
N-(3-aminopropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
CID 10705289
N,2,2,5,5-pentamethyl-2,5-dihydro-1H-pyrrole-3-carboxamide
CID 723465
CID 10586139
CID 10586139
CID 10683353
CID 10683353
N-[3-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
CID 46878311
(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)azanium
CID 170843996
1-[(2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)carbonyl]piperidine
CID 4053223
N-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
CID 14305439
1-(2-Aminoethyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
CID 19818565
1-(3-Aminopropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
CID 19818566

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide (CID 14305435) is N-(2-aminoethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide is CC1(C)C=C(C(=O)NCCN)C(C)(C)N1.
What is the InChIKey of N-(2-aminoethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
The InChIKey is YNJVFBXTZJKHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10(2)7-8(11(3,4)14-10)9(15)13-6-5-12/h7,14H,5-6,12H2,1-4H3,(H,13,15).
What are the key properties of N-(2-aminoethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
N-(2-aminoethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide has a molecular weight of 211.31 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 14305435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).