(E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine

C17H32N4O2 — CID 10892701

IUPAC(E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine
SMILESCOC[C@@H]1CCCN1/N=C/CCC/C=N/N1CCC[C@H]1COC
InChIInChI=1S/C17H32N4O2/c1-22-14-16-8-6-12-20(16)18-10-4-3-5-11-19-21-13-7-9-17(21)15-23-2/h10-11,16-17H,3-9,12-15H2,1-2H3/b18-10+,19-11+/t16-,17-/m0/s1
InChIKeyFIUZCZLUVDYOGV-DAGMDEONSA-N
MW324.47 g/mol
LogP2.35
Rot. Bonds10

About (E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine

(E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine (PubChem CID 10892701) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is (E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine.

Molecular Properties

Compound Name(E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine
PubChem CID10892701
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name(E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine
SMILESCOC[C@@H]1CCCN1/N=C/CCC/C=N/N1CCC[C@H]1COC
InChIInChI=1S/C17H32N4O2/c1-22-14-16-8-6-12-20(16)18-10-4-3-5-11-19-21-13-7-9-17(21)15-23-2/h10-11,16-17H,3-9,12-15H2,1-2H3/b18-10+,19-11+/t16-,17-/m0/s1
InChIKeyFIUZCZLUVDYOGV-DAGMDEONSA-N
XLogP2.35
TPSA49.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine
CID 177391876
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-triethylsilylethanimine
CID 23241582
(1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol
CID 177492712
(E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine
CID 11128124
(E,E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-imine
CID 177407968
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
CID 13198371
[(1E)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-3-methylbutan-2-yl] acetate
CID 10978077
(Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine
CID 135050661
(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxypropan-1-imine
CID 10956776
N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine
CID 71323940
(E,2S)-2-benzylsulfanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propan-1-imine
CID 177438827
4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine
CID 101088592

Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine?
The IUPAC name of (E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine (CID 10892701) is (E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine.
What is the SMILES notation for (E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine?
The canonical SMILES for (E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine is COC[C@@H]1CCCN1/N=C/CCC/C=N/N1CCC[C@H]1COC.
What is the InChIKey of (E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine?
The InChIKey is FIUZCZLUVDYOGV-DAGMDEONSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-22-14-16-8-6-12-20(16)18-10-4-3-5-11-19-21-13-7-9-17(21)15-23-2/h10-11,16-17H,3-9,12-15H2,1-2H3/b18-10+,19-11+/t16-,17-/m0/s1.
What are the key properties of (E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine?
(E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine has a molecular weight of 324.47 g/mol, XLogP of 2.35, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine is sourced from PubChem (CID 10892701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).