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

C15H22N2O — CID 11139427

IUPAC(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine
SMILESCC/C(=N/N1CCC[C@H]1COC)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-3-15(13-8-5-4-6-9-13)16-17-11-7-10-14(17)12-18-2/h4-6,8-9,14H,3,7,10-12H2,1-2H3/b16-15-/t14-/m0/s1
InChIKeyNDVWTARQDHAMKJ-DQHOPXMZSA-N
MW246.35 g/mol
LogP2.91
Rot. Bonds5

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

(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine (PubChem CID 11139427) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine.

Molecular Properties

Compound Name(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine
PubChem CID11139427
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine
SMILESCC/C(=N/N1CCC[C@H]1COC)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-3-15(13-8-5-4-6-9-13)16-17-11-7-10-14(17)12-18-2/h4-6,8-9,14H,3,7,10-12H2,1-2H3/b16-15-/t14-/m0/s1
InChIKeyNDVWTARQDHAMKJ-DQHOPXMZSA-N
XLogP2.91
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.91
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]-1-phenylpropan-1-imine?
The IUPAC name of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine (CID 11139427) is (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine.
What is the SMILES notation for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine?
The canonical SMILES for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine is CC/C(=N/N1CCC[C@H]1COC)c1ccccc1.
What is the InChIKey of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine?
The InChIKey is NDVWTARQDHAMKJ-DQHOPXMZSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-15(13-8-5-4-6-9-13)16-17-11-7-10-14(17)12-18-2/h4-6,8-9,14H,3,7,10-12H2,1-2H3/b16-15-/t14-/m0/s1.
What are the key properties of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine?
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine has a molecular weight of 246.35 g/mol, XLogP of 2.91, 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]-1-phenylpropan-1-imine is sourced from PubChem (CID 11139427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).