N-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

C13H25N3O — CID 14305439

IUPACN-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCCCCN)C(C)(C)N1
InChIInChI=1S/C13H25N3O/c1-12(2)9-10(13(3,4)16-12)11(17)15-8-6-5-7-14/h9,16H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyLTUWRJWRJLGPNA-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.93
Rot. Bonds5

About N-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

N-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide (PubChem CID 14305439) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
PubChem CID14305439
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCCCCN)C(C)(C)N1
InChIInChI=1S/C13H25N3O/c1-12(2)9-10(13(3,4)16-12)11(17)15-8-6-5-7-14/h9,16H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyLTUWRJWRJLGPNA-UHFFFAOYSA-N
XLogP0.93
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
2-methyl-N-(3-pyrrolidin-1-ylpropyl)pent-2-enamide
CID 72156044
N-[3-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
CID 46878311
2,5,5-trimethyl-N-[3-[(2,2,6,6-tetramethyl-1,3-dihydropyridin-3-yl)selanyl]propyl]-1,2-dihydropyrrole-4-carboxamide
CID 139264819
(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
(Z)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pent-2-enamide
CID 45811744

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide (CID 14305439) is N-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide is CC1(C)C=C(C(=O)NCCCCN)C(C)(C)N1.
What is the InChIKey of N-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
The InChIKey is LTUWRJWRJLGPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-12(2)9-10(13(3,4)16-12)11(17)15-8-6-5-7-14/h9,16H,5-8,14H2,1-4H3,(H,15,17).
What are the key properties of N-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
N-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 14305439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).