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

C15H25N3O — CID 66401026

IUPAC2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cccc1CNC1CC1
InChIInChI=1S/C15H25N3O/c1-3-5-12(2)17-15(19)11-18-9-4-6-14(18)10-16-13-7-8-13/h4,6,9,12-13,16H,3,5,7-8,10-11H2,1-2H3,(H,17,19)
InChIKeyCPDFUOOQXNOSAS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.04
Rot. Bonds8

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

2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide (PubChem CID 66401026) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
PubChem CID66401026
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cccc1CNC1CC1
InChIInChI=1S/C15H25N3O/c1-3-5-12(2)17-15(19)11-18-9-4-6-14(18)10-16-13-7-8-13/h4,6,9,12-13,16H,3,5,7-8,10-11H2,1-2H3,(H,17,19)
InChIKeyCPDFUOOQXNOSAS-UHFFFAOYSA-N
XLogP2.04
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66402406
N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401184
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide
CID 55048665
N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401192
N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine
CID 66402783
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 66412458
4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide
CID 66412930
2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66399323
2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79102365
N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 82928473
4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
CID 66412264
N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66411136

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide (CID 66401026) is 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1cccc1CNC1CC1.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide?
The InChIKey is CPDFUOOQXNOSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-5-12(2)17-15(19)11-18-9-4-6-14(18)10-16-13-7-8-13/h4,6,9,12-13,16H,3,5,7-8,10-11H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide?
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-pentan-2-ylacetamide has a molecular weight of 263.38 g/mol, XLogP of 2.04, 8 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-pentan-2-ylacetamide is sourced from PubChem (CID 66401026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).