2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide;dihydrochloride

C17H30Cl2N4O — CID 24845291

IUPAC2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide;dihydrochloride
SMILESCC1(C)C=C(C(=O)NCCCNCc2ccc[nH]2)C(C)(C)N1.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-16(2)11-14(17(3,4)21-16)15(22)20-10-6-8-18-12-13-7-5-9-19-13;;/h5,7,9,11,18-19,21H,6,8,10,12H2,1-4H3,(H,20,22);2*1H
InChIKeyAYHNHZMSCQJNER-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.54
Rot. Bonds7

About 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide;dihydrochloride

2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide;dihydrochloride (PubChem CID 24845291) has the molecular formula C17H30Cl2N4O and a molecular weight of 377.36 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide;dihydrochloride
PubChem CID24845291
Molecular FormulaC17H30Cl2N4O
Molecular Weight377.36 g/mol
Exact Mass376.18
IUPAC Name2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide;dihydrochloride
SMILESCC1(C)C=C(C(=O)NCCCNCc2ccc[nH]2)C(C)(C)N1.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-16(2)11-14(17(3,4)21-16)15(22)20-10-6-8-18-12-13-7-5-9-19-13;;/h5,7,9,11,18-19,21H,6,8,10,12H2,1-4H3,(H,20,22);2*1H
InChIKeyAYHNHZMSCQJNER-UHFFFAOYSA-N
XLogP2.54
TPSA68.95 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.54
H-Bond Donors ≤ 54
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 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide;dihydrochloride?
The IUPAC name of 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide;dihydrochloride (CID 24845291) is 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide;dihydrochloride?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide;dihydrochloride is CC1(C)C=C(C(=O)NCCCNCc2ccc[nH]2)C(C)(C)N1.Cl.Cl.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide;dihydrochloride?
The InChIKey is AYHNHZMSCQJNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.2ClH/c1-16(2)11-14(17(3,4)21-16)15(22)20-10-6-8-18-12-13-7-5-9-19-13;;/h5,7,9,11,18-19,21H,6,8,10,12H2,1-4H3,(H,20,22);2*1H.
What are the key properties of 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide;dihydrochloride?
2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide;dihydrochloride has a molecular weight of 377.36 g/mol, XLogP of 2.54, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide;dihydrochloride is sourced from PubChem (CID 24845291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).