N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide

C11H19N3O — CID 66411108

IUPACN-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide
SMILESCCn1cccc1CNCCNC(C)=O
InChIInChI=1S/C11H19N3O/c1-3-14-8-4-5-11(14)9-12-6-7-13-10(2)15/h4-5,8,12H,3,6-7,9H2,1-2H3,(H,13,15)
InChIKeyDNZKRIYDFHOFFX-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.73
Rot. Bonds6

About N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide

N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide (PubChem CID 66411108) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide
PubChem CID66411108
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide
SMILESCCn1cccc1CNCCNC(C)=O
InChIInChI=1S/C11H19N3O/c1-3-14-8-4-5-11(14)9-12-6-7-13-10(2)15/h4-5,8,12H,3,6-7,9H2,1-2H3,(H,13,15)
InChIKeyDNZKRIYDFHOFFX-UHFFFAOYSA-N
XLogP0.73
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(1-ethylpyrrol-2-yl)methylamino]-N-propylpropanamide
CID 66443625
N-[(1-ethylpyrrol-2-yl)methyl]-2-methylsulfonylethanamine
CID 66411958
N'-[(1-ethylpyrrol-2-yl)methyl]butane-1,4-diamine
CID 66411172
3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide
CID 66443623
N-[(1-ethylpyrrol-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 66444811
N-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 66411681
1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
CID 66411513
tert-butyl N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]-N-methylcarbamate
CID 107245208
tert-butyl N-[3-[(1-ethylpyrrol-2-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 107257566
1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 66411304
N-[(1-ethylpyrrol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 66411888
N-[(1-ethylpyrrol-2-yl)methyl]-3-phenoxypropan-1-amine
CID 66444605

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide (CID 66411108) is N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide is CCn1cccc1CNCCNC(C)=O.
What is the InChIKey of N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide?
The InChIKey is DNZKRIYDFHOFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-14-8-4-5-11(14)9-12-6-7-13-10(2)15/h4-5,8,12H,3,6-7,9H2,1-2H3,(H,13,15).
What are the key properties of N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide?
N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide has a molecular weight of 209.29 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide is sourced from PubChem (CID 66411108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).