ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine

C21H50N2O2 — CID 143723108

IUPACethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine
SMILESCC.CC.CC.COCCCN1CCCC1.COCCN1CCCC1
InChIInChI=1S/C8H17NO.C7H15NO.3C2H6/c1-10-8-4-7-9-5-2-3-6-9;1-9-7-6-8-4-2-3-5-8;3*1-2/h2-8H2,1H3;2-7H2,1H3;3*1-2H3
InChIKeyOOZMBHKLRCOOJX-UHFFFAOYSA-N
MW362.64 g/mol
LogP4.93
Rot. Bonds7

About ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine

ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine (PubChem CID 143723108) has the molecular formula C21H50N2O2 and a molecular weight of 362.64 g/mol. Its IUPAC name is ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine.

Molecular Properties

Compound Nameethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine
PubChem CID143723108
Molecular FormulaC21H50N2O2
Molecular Weight362.64 g/mol
Exact Mass362.39
IUPAC Nameethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine
SMILESCC.CC.CC.COCCCN1CCCC1.COCCN1CCCC1
InChIInChI=1S/C8H17NO.C7H15NO.3C2H6/c1-10-8-4-7-9-5-2-3-6-9;1-9-7-6-8-4-2-3-5-8;3*1-2/h2-8H2,1H3;2-7H2,1H3;3*1-2H3
InChIKeyOOZMBHKLRCOOJX-UHFFFAOYSA-N
XLogP4.93
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.64
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine?
The IUPAC name of ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine (CID 143723108) is ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine.
What is the SMILES notation for ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine?
The canonical SMILES for ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine is CC.CC.CC.COCCCN1CCCC1.COCCN1CCCC1.
What is the InChIKey of ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine?
The InChIKey is OOZMBHKLRCOOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C7H15NO.3C2H6/c1-10-8-4-7-9-5-2-3-6-9;1-9-7-6-8-4-2-3-5-8;3*1-2/h2-8H2,1H3;2-7H2,1H3;3*1-2H3.
What are the key properties of ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine?
ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine has a molecular weight of 362.64 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine is sourced from PubChem (CID 143723108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).