1-propan-2-yl-3-propan-2-yloxypyrrolidine

C10H21NO — CID 66606030

IUPAC1-propan-2-yl-3-propan-2-yloxypyrrolidine
SMILESCC(C)OC1CCN(C(C)C)C1
InChIInChI=1S/C10H21NO/c1-8(2)11-6-5-10(7-11)12-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyDQGDDBSBMNEKEW-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.89
Rot. Bonds3

About 1-propan-2-yl-3-propan-2-yloxypyrrolidine

1-propan-2-yl-3-propan-2-yloxypyrrolidine (PubChem CID 66606030) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-propan-2-yl-3-propan-2-yloxypyrrolidine.

Molecular Properties

Compound Name1-propan-2-yl-3-propan-2-yloxypyrrolidine
PubChem CID66606030
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-propan-2-yl-3-propan-2-yloxypyrrolidine
SMILESCC(C)OC1CCN(C(C)C)C1
InChIInChI=1S/C10H21NO/c1-8(2)11-6-5-10(7-11)12-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyDQGDDBSBMNEKEW-UHFFFAOYSA-N
XLogP1.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-propan-2-yloxypyrrolidine?
The IUPAC name of 1-propan-2-yl-3-propan-2-yloxypyrrolidine (CID 66606030) is 1-propan-2-yl-3-propan-2-yloxypyrrolidine.
What is the SMILES notation for 1-propan-2-yl-3-propan-2-yloxypyrrolidine?
The canonical SMILES for 1-propan-2-yl-3-propan-2-yloxypyrrolidine is CC(C)OC1CCN(C(C)C)C1.
What is the InChIKey of 1-propan-2-yl-3-propan-2-yloxypyrrolidine?
The InChIKey is DQGDDBSBMNEKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)11-6-5-10(7-11)12-9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-propan-2-yloxypyrrolidine?
1-propan-2-yl-3-propan-2-yloxypyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-propan-2-yloxypyrrolidine is sourced from PubChem (CID 66606030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).