N-(3-aminopropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide

C12H23N3O2 — CID 10705289

IUPACN-(3-aminopropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCCCN)C(C)(C)N1O
InChIInChI=1S/C12H23N3O2/c1-11(2)8-9(12(3,4)15(11)17)10(16)14-7-5-6-13/h8,17H,5-7,13H2,1-4H3,(H,14,16)
InChIKeyKZPMNRGHVOUDPP-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.64
Rot. Bonds4

About N-(3-aminopropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide

N-(3-aminopropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide (PubChem CID 10705289) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
PubChem CID10705289
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(3-aminopropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCCCN)C(C)(C)N1O
InChIInChI=1S/C12H23N3O2/c1-11(2)8-9(12(3,4)15(11)17)10(16)14-7-5-6-13/h8,17H,5-7,13H2,1-4H3,(H,14,16)
InChIKeyKZPMNRGHVOUDPP-UHFFFAOYSA-N
XLogP0.64
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide (CID 10705289) is N-(3-aminopropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide is CC1(C)C=C(C(=O)NCCCN)C(C)(C)N1O.
What is the InChIKey of N-(3-aminopropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The InChIKey is KZPMNRGHVOUDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-11(2)8-9(12(3,4)15(11)17)10(16)14-7-5-6-13/h8,17H,5-7,13H2,1-4H3,(H,14,16).
What are the key properties of N-(3-aminopropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide?
N-(3-aminopropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide is sourced from PubChem (CID 10705289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).