ethane;N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine

C11H26N2O — CID 163276578

IUPACethane;N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine
SMILESCC.COCCNCCN1CCCC1
InChIInChI=1S/C9H20N2O.C2H6/c1-12-9-5-10-4-8-11-6-2-3-7-11;1-2/h10H,2-9H2,1H3;1-2H3
InChIKeyKCUNYWXWEVHZEF-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.34
Rot. Bonds6

About ethane;N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine

ethane;N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 163276578) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is ethane;N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Nameethane;N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine
PubChem CID163276578
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Nameethane;N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine
SMILESCC.COCCNCCN1CCCC1
InChIInChI=1S/C9H20N2O.C2H6/c1-12-9-5-10-4-8-11-6-2-3-7-11;1-2/h10H,2-9H2,1H3;1-2H3
InChIKeyKCUNYWXWEVHZEF-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-Methoxyethyl)(methyl)((pyrrolidin-2-yl)methyl)amine
CID 50989303
Diethyl[2-(pyrrolidin-3-yloxy)ethyl]amine
CID 62327223
2-(2-(Pyrrolidin-1-yl)ethoxy)ethan-1-amine
CID 10080641
1-(2-Methoxyethyl)pyrrolidin-3-amine
CID 20800284
Diethyl({2-[(2-methoxyethyl)amino]ethyl})amine
CID 23116495
Dimethyl[2-(pyrrolidin-3-yloxy)ethyl]amine
CID 13049041
2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine
CID 145131539
4-fluoro-N-(2-methoxyethyl)-1-methylpyrrolidin-3-amine
CID 176675939
(S)-1-(2-Methoxyethyl)pyrrolidin-3-amine
CID 10796871
1-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 54962067
2-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62642519
N-ethyl-N-[2-(trifluoromethoxy)ethyl]pyrrolidin-3-amine
CID 65803498

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of ethane;N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine (CID 163276578) is ethane;N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for ethane;N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for ethane;N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine is CC.COCCNCCN1CCCC1.
What is the InChIKey of ethane;N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is KCUNYWXWEVHZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C2H6/c1-12-9-5-10-4-8-11-6-2-3-7-11;1-2/h10H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine?
ethane;N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 202.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 163276578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).