(E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine

C19H38N2O3 — CID 11279331

IUPAC(E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine
SMILESCC/C(=N\N1CCC[C@H]1COC)[C@@H](C)C[C@H](C)[C@H](CC)OCOC
InChIInChI=1S/C19H38N2O3/c1-7-18(20-21-11-9-10-17(21)13-22-5)15(3)12-16(4)19(8-2)24-14-23-6/h15-17,19H,7-14H2,1-6H3/b20-18+/t15-,16-,17-,19-/m0/s1
InChIKeyDLBMWGWNUKJQHF-UAJLTXLBSA-N
MW342.52 g/mol
LogP3.92
Rot. Bonds12

About (E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine

(E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine (PubChem CID 11279331) has the molecular formula C19H38N2O3 and a molecular weight of 342.52 g/mol. Its IUPAC name is (E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine.

Molecular Properties

Compound Name(E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine
PubChem CID11279331
Molecular FormulaC19H38N2O3
Molecular Weight342.52 g/mol
Exact Mass342.29
IUPAC Name(E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine
SMILESCC/C(=N\N1CCC[C@H]1COC)[C@@H](C)C[C@H](C)[C@H](CC)OCOC
InChIInChI=1S/C19H38N2O3/c1-7-18(20-21-11-9-10-17(21)13-22-5)15(3)12-16(4)19(8-2)24-14-23-6/h15-17,19H,7-14H2,1-6H3/b20-18+/t15-,16-,17-,19-/m0/s1
InChIKeyDLBMWGWNUKJQHF-UAJLTXLBSA-N
XLogP3.92
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyldecan-3-imine
CID 134876840
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
CID 13198371
N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine
CID 71323940
(Z,5S)-5-[(1R)-1-diethoxyphosphorylethyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,6-dimethylheptan-3-imine
CID 177436167
(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
CID 10809024
CID 10809024
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,5-dimethyl-4-trimethylsilyloxyhexan-2-imine
CID 134876893
(E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine
CID 10892701
(4S,6S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dipropyl-1,9-bis(trimethylsilyloxy)nonan-5-imine
CID 15722700
(E,3S)-3-[(Z)-dodec-9-enyl]sulfanyl-1,1,1-trifluoro-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
CID 102079963
(1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol
CID 177492712

Frequently Asked Questions

What is the IUPAC name of (E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine?
The IUPAC name of (E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine (CID 11279331) is (E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine.
What is the SMILES notation for (E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine?
The canonical SMILES for (E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine is CC/C(=N\N1CCC[C@H]1COC)[C@@H](C)C[C@H](C)[C@H](CC)OCOC.
What is the InChIKey of (E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine?
The InChIKey is DLBMWGWNUKJQHF-UAJLTXLBSA-N. The full InChI is InChI=1S/C19H38N2O3/c1-7-18(20-21-11-9-10-17(21)13-22-5)15(3)12-16(4)19(8-2)24-14-23-6/h15-17,19H,7-14H2,1-6H3/b20-18+/t15-,16-,17-,19-/m0/s1.
What are the key properties of (E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine?
(E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine has a molecular weight of 342.52 g/mol, XLogP of 3.92, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,6S,7S)-7-(methoxymethoxy)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4,6-dimethylnonan-3-imine is sourced from PubChem (CID 11279331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).