(E,2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)non-3-en-1-imine

C20H31NO2 — CID 134870971

IUPAC(E,2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)non-3-en-1-imine
SMILESCCCCC/C=C/[C@H](/C=N/Cc1ccccc1)OC(C)(C)OC
InChIInChI=1S/C20H31NO2/c1-5-6-7-8-12-15-19(23-20(2,3)22-4)17-21-16-18-13-10-9-11-14-18/h9-15,17,19H,5-8,16H2,1-4H3/b15-12+,21-17+/t19-/m1/s1
InChIKeyLFWCROBEHDPBDD-JPUFQAOXSA-N
MW317.47 g/mol
LogP5.16
Rot. Bonds11

About (E,2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)non-3-en-1-imine

(E,2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)non-3-en-1-imine (PubChem CID 134870971) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is (E,2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)non-3-en-1-imine.

Molecular Properties

Compound Name(E,2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)non-3-en-1-imine
PubChem CID134870971
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name(E,2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)non-3-en-1-imine
SMILESCCCCC/C=C/[C@H](/C=N/Cc1ccccc1)OC(C)(C)OC
InChIInChI=1S/C20H31NO2/c1-5-6-7-8-12-15-19(23-20(2,3)22-4)17-21-16-18-13-10-9-11-14-18/h9-15,17,19H,5-8,16H2,1-4H3/b15-12+,21-17+/t19-/m1/s1
InChIKeyLFWCROBEHDPBDD-JPUFQAOXSA-N
XLogP5.16
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 42642786
(S,Z)-N-((2,2-dimethyl-1,3-dioxolan-4-yl)methylene)-1-phenylmethanamine oxide
CID 2753972
(Z)-N-Benzyl-1-((4S,5R)-2,2-dimethyl-5-vinyl-1,3-dioxolan-4-YL)methanimine oxide
CID 10801381
N-benzyl-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 11368337
N-benzyl-2,2-diethoxyethanimine
CID 13977689
N-[(1R)-1-phenylethyl]-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 10945271
N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine
CID 10976959
N-benzyl-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine
CID 11195349
(2S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]propan-1-imine
CID 13479347
N-benzyl-1-[(2R,3R)-2-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methanimine
CID 14133091
N-benzyl-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 14395982
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(1S)-1-phenylethyl]methanimine
CID 16655666

Frequently Asked Questions

What is the IUPAC name of (E,2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)non-3-en-1-imine?
The IUPAC name of (E,2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)non-3-en-1-imine (CID 134870971) is (E,2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)non-3-en-1-imine.
What is the SMILES notation for (E,2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)non-3-en-1-imine?
The canonical SMILES for (E,2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)non-3-en-1-imine is CCCCC/C=C/[C@H](/C=N/Cc1ccccc1)OC(C)(C)OC.
What is the InChIKey of (E,2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)non-3-en-1-imine?
The InChIKey is LFWCROBEHDPBDD-JPUFQAOXSA-N. The full InChI is InChI=1S/C20H31NO2/c1-5-6-7-8-12-15-19(23-20(2,3)22-4)17-21-16-18-13-10-9-11-14-18/h9-15,17,19H,5-8,16H2,1-4H3/b15-12+,21-17+/t19-/m1/s1.
What are the key properties of (E,2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)non-3-en-1-imine?
(E,2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)non-3-en-1-imine has a molecular weight of 317.47 g/mol, XLogP of 5.16, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)non-3-en-1-imine is sourced from PubChem (CID 134870971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).