N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine

C11H22N2O — CID 10535976

IUPACN-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine
SMILESC=NN1CCC[C@H]1C(CC)(CC)OC
InChIInChI=1S/C11H22N2O/c1-5-11(6-2,14-4)10-8-7-9-13(10)12-3/h10H,3,5-9H2,1-2,4H3/t10-/m0/s1
InChIKeyDBEHKAHQESICNT-JTQLQIEISA-N
MW198.31 g/mol
LogP2.27
Rot. Bonds5

About N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine

N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine (PubChem CID 10535976) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine.

Molecular Properties

Compound NameN-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine
PubChem CID10535976
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine
SMILESC=NN1CCC[C@H]1C(CC)(CC)OC
InChIInChI=1S/C11H22N2O/c1-5-11(6-2,14-4)10-8-7-9-13(10)12-3/h10H,3,5-9H2,1-2,4H3/t10-/m0/s1
InChIKeyDBEHKAHQESICNT-JTQLQIEISA-N
XLogP2.27
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine?
The IUPAC name of N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine (CID 10535976) is N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine.
What is the SMILES notation for N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine?
The canonical SMILES for N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine is C=NN1CCC[C@H]1C(CC)(CC)OC.
What is the InChIKey of N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine?
The InChIKey is DBEHKAHQESICNT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-11(6-2,14-4)10-8-7-9-13(10)12-3/h10H,3,5-9H2,1-2,4H3/t10-/m0/s1.
What are the key properties of N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine?
N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine has a molecular weight of 198.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]methanimine is sourced from PubChem (CID 10535976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).