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

C12H23N3O — CID 14305438

IUPACN-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCCCN)C(C)(C)N1
InChIInChI=1S/C12H23N3O/c1-11(2)8-9(12(3,4)15-11)10(16)14-7-5-6-13/h8,15H,5-7,13H2,1-4H3,(H,14,16)
InChIKeyNTWSXJRFFRITSK-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.54
Rot. Bonds4

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

N-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide (PubChem CID 14305438) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
PubChem CID14305438
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCCCN)C(C)(C)N1
InChIInChI=1S/C12H23N3O/c1-11(2)8-9(12(3,4)15-11)10(16)14-7-5-6-13/h8,15H,5-7,13H2,1-4H3,(H,14,16)
InChIKeyNTWSXJRFFRITSK-UHFFFAOYSA-N
XLogP0.54
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.54
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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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide (CID 14305438) is N-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide is CC1(C)C=C(C(=O)NCCCN)C(C)(C)N1.
What is the InChIKey of N-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
The InChIKey is NTWSXJRFFRITSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11(2)8-9(12(3,4)15-11)10(16)14-7-5-6-13/h8,15H,5-7,13H2,1-4H3,(H,14,16).
What are the key properties of N-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide?
N-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 14305438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).