ethane;2-(1-ethyl-2-methylpyrrolidin-3-yl)oxyethanamine

C11H26N2O — CID 178134974

IUPACethane;2-(1-ethyl-2-methylpyrrolidin-3-yl)oxyethanamine
SMILESCC.CCN1CCC(OCCN)C1C
InChIInChI=1S/C9H20N2O.C2H6/c1-3-11-6-4-9(8(11)2)12-7-5-10;1-2/h8-9H,3-7,10H2,1-2H3;1-2H3
InChIKeyKAQASJRQSVMULE-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.47
Rot. Bonds4

About ethane;2-(1-ethyl-2-methylpyrrolidin-3-yl)oxyethanamine

ethane;2-(1-ethyl-2-methylpyrrolidin-3-yl)oxyethanamine (PubChem CID 178134974) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is ethane;2-(1-ethyl-2-methylpyrrolidin-3-yl)oxyethanamine.

Molecular Properties

Compound Nameethane;2-(1-ethyl-2-methylpyrrolidin-3-yl)oxyethanamine
PubChem CID178134974
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Nameethane;2-(1-ethyl-2-methylpyrrolidin-3-yl)oxyethanamine
SMILESCC.CCN1CCC(OCCN)C1C
InChIInChI=1S/C9H20N2O.C2H6/c1-3-11-6-4-9(8(11)2)12-7-5-10;1-2/h8-9H,3-7,10H2,1-2H3;1-2H3
InChIKeyKAQASJRQSVMULE-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-ethyl-2-methylpyrrolidin-3-yl)oxyethanamine?
The IUPAC name of ethane;2-(1-ethyl-2-methylpyrrolidin-3-yl)oxyethanamine (CID 178134974) is ethane;2-(1-ethyl-2-methylpyrrolidin-3-yl)oxyethanamine.
What is the SMILES notation for ethane;2-(1-ethyl-2-methylpyrrolidin-3-yl)oxyethanamine?
The canonical SMILES for ethane;2-(1-ethyl-2-methylpyrrolidin-3-yl)oxyethanamine is CC.CCN1CCC(OCCN)C1C.
What is the InChIKey of ethane;2-(1-ethyl-2-methylpyrrolidin-3-yl)oxyethanamine?
The InChIKey is KAQASJRQSVMULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C2H6/c1-3-11-6-4-9(8(11)2)12-7-5-10;1-2/h8-9H,3-7,10H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(1-ethyl-2-methylpyrrolidin-3-yl)oxyethanamine?
ethane;2-(1-ethyl-2-methylpyrrolidin-3-yl)oxyethanamine has a molecular weight of 202.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-ethyl-2-methylpyrrolidin-3-yl)oxyethanamine is sourced from PubChem (CID 178134974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).