N-(2-aminoethyl)-2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)acetamide

C13H23N3O — CID 96674385

IUPACN-(2-aminoethyl)-2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCCN)c(C)n1C(C)C
InChIInChI=1S/C13H23N3O/c1-9(2)16-10(3)7-12(11(16)4)8-13(17)15-6-5-14/h7,9H,5-6,8,14H2,1-4H3,(H,15,17)
InChIKeyAGTLMQMTSFARCT-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.30
Rot. Bonds5

About N-(2-aminoethyl)-2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)acetamide

N-(2-aminoethyl)-2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)acetamide (PubChem CID 96674385) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)acetamide
PubChem CID96674385
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(2-aminoethyl)-2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCCN)c(C)n1C(C)C
InChIInChI=1S/C13H23N3O/c1-9(2)16-10(3)7-12(11(16)4)8-13(17)15-6-5-14/h7,9H,5-6,8,14H2,1-4H3,(H,15,17)
InChIKeyAGTLMQMTSFARCT-UHFFFAOYSA-N
XLogP1.30
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)acetamide (CID 96674385) is N-(2-aminoethyl)-2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)acetamide is Cc1cc(CC(=O)NCCN)c(C)n1C(C)C.
What is the InChIKey of N-(2-aminoethyl)-2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)acetamide?
The InChIKey is AGTLMQMTSFARCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)16-10(3)7-12(11(16)4)8-13(17)15-6-5-14/h7,9H,5-6,8,14H2,1-4H3,(H,15,17).
What are the key properties of N-(2-aminoethyl)-2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)acetamide?
N-(2-aminoethyl)-2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)acetamide has a molecular weight of 237.35 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)acetamide is sourced from PubChem (CID 96674385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).