3,3-dimethyl-4-[(2-methylpyrrolidin-3-yl)methyl]morpholine

C12H24N2O — CID 79384338

IUPAC3,3-dimethyl-4-[(2-methylpyrrolidin-3-yl)methyl]morpholine
SMILESCC1NCCC1CN1CCOCC1(C)C
InChIInChI=1S/C12H24N2O/c1-10-11(4-5-13-10)8-14-6-7-15-9-12(14,2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyPWMWSUIQMDRQBW-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds2

About 3,3-dimethyl-4-[(2-methylpyrrolidin-3-yl)methyl]morpholine

3,3-dimethyl-4-[(2-methylpyrrolidin-3-yl)methyl]morpholine (PubChem CID 79384338) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(2-methylpyrrolidin-3-yl)methyl]morpholine.

Molecular Properties

Compound Name3,3-dimethyl-4-[(2-methylpyrrolidin-3-yl)methyl]morpholine
PubChem CID79384338
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3,3-dimethyl-4-[(2-methylpyrrolidin-3-yl)methyl]morpholine
SMILESCC1NCCC1CN1CCOCC1(C)C
InChIInChI=1S/C12H24N2O/c1-10-11(4-5-13-10)8-14-6-7-15-9-12(14,2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyPWMWSUIQMDRQBW-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(2-methylpyrrolidin-3-yl)methyl]morpholine?
The IUPAC name of 3,3-dimethyl-4-[(2-methylpyrrolidin-3-yl)methyl]morpholine (CID 79384338) is 3,3-dimethyl-4-[(2-methylpyrrolidin-3-yl)methyl]morpholine.
What is the SMILES notation for 3,3-dimethyl-4-[(2-methylpyrrolidin-3-yl)methyl]morpholine?
The canonical SMILES for 3,3-dimethyl-4-[(2-methylpyrrolidin-3-yl)methyl]morpholine is CC1NCCC1CN1CCOCC1(C)C.
What is the InChIKey of 3,3-dimethyl-4-[(2-methylpyrrolidin-3-yl)methyl]morpholine?
The InChIKey is PWMWSUIQMDRQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-11(4-5-13-10)8-14-6-7-15-9-12(14,2)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 3,3-dimethyl-4-[(2-methylpyrrolidin-3-yl)methyl]morpholine?
3,3-dimethyl-4-[(2-methylpyrrolidin-3-yl)methyl]morpholine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(2-methylpyrrolidin-3-yl)methyl]morpholine is sourced from PubChem (CID 79384338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).