2-(2,5-dihydropyrrol-1-yl)-N-(2-methoxyethyl)ethanamine

C9H18N2O — CID 83030295

IUPAC2-(2,5-dihydropyrrol-1-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCN1CC=CC1
InChIInChI=1S/C9H18N2O/c1-12-9-5-10-4-8-11-6-2-3-7-11/h2-3,10H,4-9H2,1H3
InChIKeyVNLMPQUJJDZUPD-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.09
Rot. Bonds6

About 2-(2,5-dihydropyrrol-1-yl)-N-(2-methoxyethyl)ethanamine

2-(2,5-dihydropyrrol-1-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 83030295) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(2,5-dihydropyrrol-1-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dihydropyrrol-1-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID83030295
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(2,5-dihydropyrrol-1-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCN1CC=CC1
InChIInChI=1S/C9H18N2O/c1-12-9-5-10-4-8-11-6-2-3-7-11/h2-3,10H,4-9H2,1H3
InChIKeyVNLMPQUJJDZUPD-UHFFFAOYSA-N
XLogP0.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-azaspiro[3.6]decan-2-yl)-N-(2-methoxyethyl)ethanamine
CID 83030393
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)ethanamine
CID 62832411
2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine
CID 63163581
N-(2-methoxyethyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103534749
N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 62575110
N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 62575106
CID 89324812
CID 89324812
N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 103178950
N-(2-methoxyethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102963614
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62568410
N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 62568582

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydropyrrol-1-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(2,5-dihydropyrrol-1-yl)-N-(2-methoxyethyl)ethanamine (CID 83030295) is 2-(2,5-dihydropyrrol-1-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(2,5-dihydropyrrol-1-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(2,5-dihydropyrrol-1-yl)-N-(2-methoxyethyl)ethanamine is COCCNCCN1CC=CC1.
What is the InChIKey of 2-(2,5-dihydropyrrol-1-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is VNLMPQUJJDZUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-12-9-5-10-4-8-11-6-2-3-7-11/h2-3,10H,4-9H2,1H3.
What are the key properties of 2-(2,5-dihydropyrrol-1-yl)-N-(2-methoxyethyl)ethanamine?
2-(2,5-dihydropyrrol-1-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 170.26 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyrrol-1-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 83030295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).