2-(3-methoxy-2-methylpropyl)-2-methylpyrrolidine

C10H21NO — CID 116503647

IUPAC2-(3-methoxy-2-methylpropyl)-2-methylpyrrolidine
SMILESCOCC(C)CC1(C)CCCN1
InChIInChI=1S/C10H21NO/c1-9(8-12-3)7-10(2)5-4-6-11-10/h9,11H,4-8H2,1-3H3
InChIKeyBVFIHJYTTMENFW-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds4

About 2-(3-methoxy-2-methylpropyl)-2-methylpyrrolidine

2-(3-methoxy-2-methylpropyl)-2-methylpyrrolidine (PubChem CID 116503647) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(3-methoxy-2-methylpropyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(3-methoxy-2-methylpropyl)-2-methylpyrrolidine
PubChem CID116503647
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(3-methoxy-2-methylpropyl)-2-methylpyrrolidine
SMILESCOCC(C)CC1(C)CCCN1
InChIInChI=1S/C10H21NO/c1-9(8-12-3)7-10(2)5-4-6-11-10/h9,11H,4-8H2,1-3H3
InChIKeyBVFIHJYTTMENFW-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-methylpropyl)-2-methylpyrrolidine?
The IUPAC name of 2-(3-methoxy-2-methylpropyl)-2-methylpyrrolidine (CID 116503647) is 2-(3-methoxy-2-methylpropyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(3-methoxy-2-methylpropyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(3-methoxy-2-methylpropyl)-2-methylpyrrolidine is COCC(C)CC1(C)CCCN1.
What is the InChIKey of 2-(3-methoxy-2-methylpropyl)-2-methylpyrrolidine?
The InChIKey is BVFIHJYTTMENFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(8-12-3)7-10(2)5-4-6-11-10/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-(3-methoxy-2-methylpropyl)-2-methylpyrrolidine?
2-(3-methoxy-2-methylpropyl)-2-methylpyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-methylpropyl)-2-methylpyrrolidine is sourced from PubChem (CID 116503647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).