2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide

C13H21N3O — CID 66402406

IUPAC2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cccc1CNC1CC1
InChIInChI=1S/C13H21N3O/c1-10(2)15-13(17)9-16-7-3-4-12(16)8-14-11-5-6-11/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,15,17)
InChIKeyHSMHNCZGEXGVQH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.26
Rot. Bonds6

About 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide

2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide (PubChem CID 66402406) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
PubChem CID66402406
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cccc1CNC1CC1
InChIInChI=1S/C13H21N3O/c1-10(2)15-13(17)9-16-7-3-4-12(16)8-14-11-5-6-11/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,15,17)
InChIKeyHSMHNCZGEXGVQH-UHFFFAOYSA-N
XLogP1.26
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 66401026
2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66399323
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66401085
2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-propan-2-ylacetamide
CID 102916244
methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate
CID 66401619
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol
CID 66401036
N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 82928473
2-[2-(ethylaminomethyl)pyrrol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 66402539
N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401192
N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
CID 66411275
N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine
CID 66410893
N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine
CID 66402783

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide (CID 66402406) is 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cccc1CNC1CC1.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is HSMHNCZGEXGVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)15-13(17)9-16-7-3-4-12(16)8-14-11-5-6-11/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,15,17).
What are the key properties of 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide?
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 235.33 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 66402406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).