4-(1-methylpyrrolidin-3-yl)-2-propan-2-ylmorpholine

C12H24N2O — CID 58469670

IUPAC4-(1-methylpyrrolidin-3-yl)-2-propan-2-ylmorpholine
SMILESCC(C)C1CN(C2CCN(C)C2)CCO1
InChIInChI=1S/C12H24N2O/c1-10(2)12-9-14(6-7-15-12)11-4-5-13(3)8-11/h10-12H,4-9H2,1-3H3
InChIKeyXTUMKXUVXQSABE-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.05
Rot. Bonds2

About 4-(1-methylpyrrolidin-3-yl)-2-propan-2-ylmorpholine

4-(1-methylpyrrolidin-3-yl)-2-propan-2-ylmorpholine (PubChem CID 58469670) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-(1-methylpyrrolidin-3-yl)-2-propan-2-ylmorpholine.

Molecular Properties

Compound Name4-(1-methylpyrrolidin-3-yl)-2-propan-2-ylmorpholine
PubChem CID58469670
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-(1-methylpyrrolidin-3-yl)-2-propan-2-ylmorpholine
SMILESCC(C)C1CN(C2CCN(C)C2)CCO1
InChIInChI=1S/C12H24N2O/c1-10(2)12-9-14(6-7-15-12)11-4-5-13(3)8-11/h10-12H,4-9H2,1-3H3
InChIKeyXTUMKXUVXQSABE-UHFFFAOYSA-N
XLogP1.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrolidin-3-yl)-2-propan-2-ylmorpholine?
The IUPAC name of 4-(1-methylpyrrolidin-3-yl)-2-propan-2-ylmorpholine (CID 58469670) is 4-(1-methylpyrrolidin-3-yl)-2-propan-2-ylmorpholine.
What is the SMILES notation for 4-(1-methylpyrrolidin-3-yl)-2-propan-2-ylmorpholine?
The canonical SMILES for 4-(1-methylpyrrolidin-3-yl)-2-propan-2-ylmorpholine is CC(C)C1CN(C2CCN(C)C2)CCO1.
What is the InChIKey of 4-(1-methylpyrrolidin-3-yl)-2-propan-2-ylmorpholine?
The InChIKey is XTUMKXUVXQSABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)12-9-14(6-7-15-12)11-4-5-13(3)8-11/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-(1-methylpyrrolidin-3-yl)-2-propan-2-ylmorpholine?
4-(1-methylpyrrolidin-3-yl)-2-propan-2-ylmorpholine has a molecular weight of 212.34 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrolidin-3-yl)-2-propan-2-ylmorpholine is sourced from PubChem (CID 58469670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).