(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-imine

C16H24N2O — CID 59356679

IUPAC(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C(\c1ccccc1)C(C)C
InChIInChI=1S/C16H24N2O/c1-13(2)16(14-8-5-4-6-9-14)17-18-11-7-10-15(18)12-19-3/h4-6,8-9,13,15H,7,10-12H2,1-3H3/b17-16-/t15-/m0/s1
InChIKeyANWDMIYKUYHRKF-DZHJMQLISA-N
MW260.38 g/mol
LogP3.16
Rot. Bonds5

About (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-imine

(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-imine (PubChem CID 59356679) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-imine.

Molecular Properties

Compound Name(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-imine
PubChem CID59356679
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C(\c1ccccc1)C(C)C
InChIInChI=1S/C16H24N2O/c1-13(2)16(14-8-5-4-6-9-14)17-18-11-7-10-15(18)12-19-3/h4-6,8-9,13,15H,7,10-12H2,1-3H3/b17-16-/t15-/m0/s1
InChIKeyANWDMIYKUYHRKF-DZHJMQLISA-N
XLogP3.16
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.16
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 (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-imine?
The IUPAC name of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-imine (CID 59356679) is (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-imine.
What is the SMILES notation for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-imine?
The canonical SMILES for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-imine is COC[C@@H]1CCCN1/N=C(\c1ccccc1)C(C)C.
What is the InChIKey of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-imine?
The InChIKey is ANWDMIYKUYHRKF-DZHJMQLISA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(2)16(14-8-5-4-6-9-14)17-18-11-7-10-15(18)12-19-3/h4-6,8-9,13,15H,7,10-12H2,1-3H3/b17-16-/t15-/m0/s1.
What are the key properties of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-imine?
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-imine has a molecular weight of 260.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-imine is sourced from PubChem (CID 59356679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).