1-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-imine

C9H18N2O — CID 131175414

IUPAC1-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-imine
SMILESCN1CCC(=NOC(C)(C)C)C1
InChIInChI=1S/C9H18N2O/c1-9(2,3)12-10-8-5-6-11(4)7-8/h5-7H2,1-4H3
InChIKeyJONYLAWREOJOSO-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.49
Rot. Bonds1

About 1-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-imine

1-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-imine (PubChem CID 131175414) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-imine.

Molecular Properties

Compound Name1-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-imine
PubChem CID131175414
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-imine
SMILESCN1CCC(=NOC(C)(C)C)C1
InChIInChI=1S/C9H18N2O/c1-9(2,3)12-10-8-5-6-11(4)7-8/h5-7H2,1-4H3
InChIKeyJONYLAWREOJOSO-UHFFFAOYSA-N
XLogP1.49
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-imine?
The IUPAC name of 1-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-imine (CID 131175414) is 1-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-imine.
What is the SMILES notation for 1-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-imine?
The canonical SMILES for 1-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-imine is CN1CCC(=NOC(C)(C)C)C1.
What is the InChIKey of 1-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-imine?
The InChIKey is JONYLAWREOJOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)12-10-8-5-6-11(4)7-8/h5-7H2,1-4H3.
What are the key properties of 1-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-imine?
1-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-imine has a molecular weight of 170.26 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-imine is sourced from PubChem (CID 131175414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).