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

C16H24N2O — CID 135050661

IUPAC(Z,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-NPVOPIMNSA-N
MW260.38 g/mol
LogP2.96
Rot. Bonds6

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

(Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine (PubChem CID 135050661) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine.

Molecular Properties

Compound Name(Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine
PubChem CID135050661
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(Z,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-NPVOPIMNSA-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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Related Compounds

(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxypropan-1-imine
CID 10956776
(E,2S)-2-benzylsulfanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propan-1-imine
CID 177438827
(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 15971722
(E,2S)-3-(4-bromophenyl)-2-tert-butylsulfanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propan-1-imine
CID 11165857
(E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine
CID 10892701
(1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol
CID 177492712
(E)-N-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 177410895
[(1E)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-3-methylbutan-2-yl] acetate
CID 10978077
(2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine
CID 135000070
(Z)-1-cyclopenta-1,3-dien-1-yl-N-[2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine
CID 177476484
(2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine
CID 135001015
(E)-1-cyclopenta-2,4-dien-1-yl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
CID 177467304

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine?
The IUPAC name of (Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine (CID 135050661) is (Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine.
What is the SMILES notation for (Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine?
The canonical SMILES for (Z,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 (Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine?
The InChIKey is HKHHNWNSPWVIRS-NPVOPIMNSA-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 (Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine?
(Z,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 (Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine is sourced from PubChem (CID 135050661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).