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

C12H23N3O — CID 19818566

IUPAC1-(3-aminopropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCC1(C)C=C(C(N)=O)C(C)(C)N1CCCN
InChIInChI=1S/C12H23N3O/c1-11(2)8-9(10(14)16)12(3,4)15(11)7-5-6-13/h8H,5-7,13H2,1-4H3,(H2,14,16)
InChIKeyKIGWKJZQOJADPD-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.62
Rot. Bonds4

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

1-(3-aminopropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide (PubChem CID 19818566) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(3-aminopropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
PubChem CID19818566
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(3-aminopropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCC1(C)C=C(C(N)=O)C(C)(C)N1CCCN
InChIInChI=1S/C12H23N3O/c1-11(2)8-9(10(14)16)12(3,4)15(11)7-5-6-13/h8H,5-7,13H2,1-4H3,(H2,14,16)
InChIKeyKIGWKJZQOJADPD-UHFFFAOYSA-N
XLogP0.62
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The IUPAC name of 1-(3-aminopropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide (CID 19818566) is 1-(3-aminopropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(3-aminopropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(3-aminopropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide is CC1(C)C=C(C(N)=O)C(C)(C)N1CCCN.
What is the InChIKey of 1-(3-aminopropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The InChIKey is KIGWKJZQOJADPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11(2)8-9(10(14)16)12(3,4)15(11)7-5-6-13/h8H,5-7,13H2,1-4H3,(H2,14,16).
What are the key properties of 1-(3-aminopropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
1-(3-aminopropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide is sourced from PubChem (CID 19818566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).