(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,5-dimethyl-4-trimethylsilyloxyhexan-2-imine

C17H36N2O2Si — CID 134876893

IUPAC(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,5-dimethyl-4-trimethylsilyloxyhexan-2-imine
SMILESCOC[C@@H]1CCCN1/N=C(\C)CC(C)(O[Si](C)(C)C)C(C)C
InChIInChI=1S/C17H36N2O2Si/c1-14(2)17(4,21-22(6,7)8)12-15(3)18-19-11-9-10-16(19)13-20-5/h14,16H,9-13H2,1-8H3/b18-15+/t16-,17?/m0/s1
InChIKeyUIMJAISCKBHABI-XZUUYUHSSA-N
MW328.57 g/mol
LogP4.13
Rot. Bonds8

About (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,5-dimethyl-4-trimethylsilyloxyhexan-2-imine

(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,5-dimethyl-4-trimethylsilyloxyhexan-2-imine (PubChem CID 134876893) has the molecular formula C17H36N2O2Si and a molecular weight of 328.57 g/mol. Its IUPAC name is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,5-dimethyl-4-trimethylsilyloxyhexan-2-imine.

Molecular Properties

Compound Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,5-dimethyl-4-trimethylsilyloxyhexan-2-imine
PubChem CID134876893
Molecular FormulaC17H36N2O2Si
Molecular Weight328.57 g/mol
Exact Mass328.25
IUPAC Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,5-dimethyl-4-trimethylsilyloxyhexan-2-imine
SMILESCOC[C@@H]1CCCN1/N=C(\C)CC(C)(O[Si](C)(C)C)C(C)C
InChIInChI=1S/C17H36N2O2Si/c1-14(2)17(4,21-22(6,7)8)12-15(3)18-19-11-9-10-16(19)13-20-5/h14,16H,9-13H2,1-8H3/b18-15+/t16-,17?/m0/s1
InChIKeyUIMJAISCKBHABI-XZUUYUHSSA-N
XLogP4.13
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
CID 13198371
N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine
CID 71323940
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2,6,6-tetramethyl-5-trimethylsilyloxyheptan-3-imine
CID 134876655
(3S,5S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,5-dimethyl-1,8-bis(trimethylsilyloxy)octan-4-imine
CID 44631189
(E)-1-[tert-butyl(dimethyl)silyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
CID 10913562
(4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dipropyl-1,9-bis(trimethylsilyloxy)nonan-5-imine
CID 15722700
CID 10809024
CID 10809024
(Z,2S)-12-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenyldodecan-1-imine
CID 11027688
(E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine
CID 134876840
1-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylbutan-2-imine
CID 23241580
(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine
CID 177427534
[(1E)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-3-methylbutan-2-yl] acetate
CID 10978077

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,5-dimethyl-4-trimethylsilyloxyhexan-2-imine?
The IUPAC name of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,5-dimethyl-4-trimethylsilyloxyhexan-2-imine (CID 134876893) is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,5-dimethyl-4-trimethylsilyloxyhexan-2-imine.
What is the SMILES notation for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,5-dimethyl-4-trimethylsilyloxyhexan-2-imine?
The canonical SMILES for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,5-dimethyl-4-trimethylsilyloxyhexan-2-imine is COC[C@@H]1CCCN1/N=C(\C)CC(C)(O[Si](C)(C)C)C(C)C.
What is the InChIKey of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,5-dimethyl-4-trimethylsilyloxyhexan-2-imine?
The InChIKey is UIMJAISCKBHABI-XZUUYUHSSA-N. The full InChI is InChI=1S/C17H36N2O2Si/c1-14(2)17(4,21-22(6,7)8)12-15(3)18-19-11-9-10-16(19)13-20-5/h14,16H,9-13H2,1-8H3/b18-15+/t16-,17?/m0/s1.
What are the key properties of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,5-dimethyl-4-trimethylsilyloxyhexan-2-imine?
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,5-dimethyl-4-trimethylsilyloxyhexan-2-imine has a molecular weight of 328.57 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,5-dimethyl-4-trimethylsilyloxyhexan-2-imine is sourced from PubChem (CID 134876893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).