(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine

C16H24N2O — CID 13329770

IUPAC(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C/[C@@H](C)Cc1ccccc1
InChIInChI=1S/C16H24N2O/c1-14(11-15-7-4-3-5-8-15)12-17-18-10-6-9-16(18)13-19-2/h3-5,7-8,12,14,16H,6,9-11,13H2,1-2H3/b17-12+/t14-,16-/m0/s1
InChIKeyHKHHNWNSPWVIRS-BIZBRERQSA-N
MW260.38 g/mol
LogP2.96
Rot. Bonds6

About (E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine

(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine (PubChem CID 13329770) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine.

Molecular Properties

Compound Name(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine
PubChem CID13329770
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C/[C@@H](C)Cc1ccccc1
InChIInChI=1S/C16H24N2O/c1-14(11-15-7-4-3-5-8-15)12-17-18-10-6-9-16(18)13-19-2/h3-5,7-8,12,14,16H,6,9-11,13H2,1-2H3/b17-12+/t14-,16-/m0/s1
InChIKeyHKHHNWNSPWVIRS-BIZBRERQSA-N
XLogP2.96
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.96
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 (E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine?
The IUPAC name of (E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine (CID 13329770) is (E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine.
What is the SMILES notation for (E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine?
The canonical SMILES for (E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine is COC[C@@H]1CCCN1/N=C/[C@@H](C)Cc1ccccc1.
What is the InChIKey of (E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine?
The InChIKey is HKHHNWNSPWVIRS-BIZBRERQSA-N. The full InChI is InChI=1S/C16H24N2O/c1-14(11-15-7-4-3-5-8-15)12-17-18-10-6-9-16(18)13-19-2/h3-5,7-8,12,14,16H,6,9-11,13H2,1-2H3/b17-12+/t14-,16-/m0/s1.
What are the key properties of (E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine?
(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine has a molecular weight of 260.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine is sourced from PubChem (CID 13329770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).