ethane;1-(3-methoxypropyl)-2-methylpyrrolidine

C11H25NO — CID 176992171

IUPACethane;1-(3-methoxypropyl)-2-methylpyrrolidine
SMILESCC.COCCCN1CCCC1C
InChIInChI=1S/C9H19NO.C2H6/c1-9-5-3-6-10(9)7-4-8-11-2;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyMZQRCYHLAKNZID-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.53
Rot. Bonds4

About ethane;1-(3-methoxypropyl)-2-methylpyrrolidine

ethane;1-(3-methoxypropyl)-2-methylpyrrolidine (PubChem CID 176992171) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;1-(3-methoxypropyl)-2-methylpyrrolidine.

Molecular Properties

Compound Nameethane;1-(3-methoxypropyl)-2-methylpyrrolidine
PubChem CID176992171
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;1-(3-methoxypropyl)-2-methylpyrrolidine
SMILESCC.COCCCN1CCCC1C
InChIInChI=1S/C9H19NO.C2H6/c1-9-5-3-6-10(9)7-4-8-11-2;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyMZQRCYHLAKNZID-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methoxypropyl)-2-methylpyrrolidine?
The IUPAC name of ethane;1-(3-methoxypropyl)-2-methylpyrrolidine (CID 176992171) is ethane;1-(3-methoxypropyl)-2-methylpyrrolidine.
What is the SMILES notation for ethane;1-(3-methoxypropyl)-2-methylpyrrolidine?
The canonical SMILES for ethane;1-(3-methoxypropyl)-2-methylpyrrolidine is CC.COCCCN1CCCC1C.
What is the InChIKey of ethane;1-(3-methoxypropyl)-2-methylpyrrolidine?
The InChIKey is MZQRCYHLAKNZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C2H6/c1-9-5-3-6-10(9)7-4-8-11-2;1-2/h9H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(3-methoxypropyl)-2-methylpyrrolidine?
ethane;1-(3-methoxypropyl)-2-methylpyrrolidine has a molecular weight of 187.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methoxypropyl)-2-methylpyrrolidine is sourced from PubChem (CID 176992171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).