2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine

C13H28N2O2 — CID 82954746

IUPAC2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCOCCN(CCOCC)CC1CCCN1
InChIInChI=1S/C13H28N2O2/c1-3-16-10-8-15(9-11-17-4-2)12-13-6-5-7-14-13/h13-14H,3-12H2,1-2H3
InChIKeyDCXYEOLWKYQSRR-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.11
Rot. Bonds10

About 2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine

2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 82954746) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID82954746
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCOCCN(CCOCC)CC1CCCN1
InChIInChI=1S/C13H28N2O2/c1-3-16-10-8-15(9-11-17-4-2)12-13-6-5-7-14-13/h13-14H,3-12H2,1-2H3
InChIKeyDCXYEOLWKYQSRR-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(2-ethoxyethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 82954745
2-ethoxy-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 63696688
N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616009
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616773
N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617646
N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979258
N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616758
3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615615
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635937
N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 64569967
N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617601

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 82954746) is 2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine is CCOCCN(CCOCC)CC1CCCN1.
What is the InChIKey of 2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is DCXYEOLWKYQSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-3-16-10-8-15(9-11-17-4-2)12-13-6-5-7-14-13/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 244.38 g/mol, XLogP of 1.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 82954746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).