2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine

C18H37N3O3 — CID 118891597

IUPAC2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
SMILESC1CCN(CCOCCNCCOCCOCCN2CCCC2)C1
InChIInChI=1S/C18H37N3O3/c1-2-8-20(7-1)11-15-22-13-5-19-6-14-23-17-18-24-16-12-21-9-3-4-10-21/h19H,1-18H2
InChIKeyQFEQERBBVKXLJE-UHFFFAOYSA-N
MW343.51 g/mol
LogP0.82
Rot. Bonds15

About 2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine

2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine (PubChem CID 118891597) has the molecular formula C18H37N3O3 and a molecular weight of 343.51 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
PubChem CID118891597
Molecular FormulaC18H37N3O3
Molecular Weight343.51 g/mol
Exact Mass343.28
IUPAC Name2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
SMILESC1CCN(CCOCCNCCOCCOCCN2CCCC2)C1
InChIInChI=1S/C18H37N3O3/c1-2-8-20(7-1)11-15-22-13-5-19-6-14-23-17-18-24-16-12-21-9-3-4-10-21/h19H,1-18H2
InChIKeyQFEQERBBVKXLJE-UHFFFAOYSA-N
XLogP0.82
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine
CID 58701501
N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 114031951
2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62642519
N-(2-ethoxyethyl)-2-piperidin-1-ylethanamine
CID 60697193
N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine
CID 82353074
N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 103178950
3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 10741951
2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine
CID 57222400
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
CID 155582630
N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 167191561

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine?
The IUPAC name of 2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine (CID 118891597) is 2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine is C1CCN(CCOCCNCCOCCOCCN2CCCC2)C1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine?
The InChIKey is QFEQERBBVKXLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O3/c1-2-8-20(7-1)11-15-22-13-5-19-6-14-23-17-18-24-16-12-21-9-3-4-10-21/h19H,1-18H2.
What are the key properties of 2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine?
2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine has a molecular weight of 343.51 g/mol, XLogP of 0.82, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine is sourced from PubChem (CID 118891597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).