2-(methoxymethoxy)-3-(methoxymethylamino)-5-methyl-2-[[4-[2-(1-methylcyclopropyl)ethoxy]-2-pyridinyl]methyl]hexanal

C23H38N2O5 — CID 126762621

IUPAC2-(methoxymethoxy)-3-(methoxymethylamino)-5-methyl-2-[[4-[2-(1-methylcyclopropyl)ethoxy]-2-pyridinyl]methyl]hexanal
SMILESCOCNC(CC(C)C)C(C=O)(Cc1cc(OCCC2(C)CC2)ccn1)OCOC
InChIInChI=1S/C23H38N2O5/c1-18(2)12-21(25-16-27-4)23(15-26,30-17-28-5)14-19-13-20(6-10-24-19)29-11-9-22(3)7-8-22/h6,10,13,15,18,21,25H,7-9,11-12,14,16-17H2,1-5H3
InChIKeyLCZBUSUKQIZIIY-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.36
Rot. Bonds16

About 2-(methoxymethoxy)-3-(methoxymethylamino)-5-methyl-2-[[4-[2-(1-methylcyclopropyl)ethoxy]-2-pyridinyl]methyl]hexanal

2-(methoxymethoxy)-3-(methoxymethylamino)-5-methyl-2-[[4-[2-(1-methylcyclopropyl)ethoxy]-2-pyridinyl]methyl]hexanal (PubChem CID 126762621) has the molecular formula C23H38N2O5 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-(methoxymethoxy)-3-(methoxymethylamino)-5-methyl-2-[[4-[2-(1-methylcyclopropyl)ethoxy]-2-pyridinyl]methyl]hexanal.

Molecular Properties

Compound Name2-(methoxymethoxy)-3-(methoxymethylamino)-5-methyl-2-[[4-[2-(1-methylcyclopropyl)ethoxy]-2-pyridinyl]methyl]hexanal
PubChem CID126762621
Molecular FormulaC23H38N2O5
Molecular Weight422.57 g/mol
Exact Mass422.28
IUPAC Name2-(methoxymethoxy)-3-(methoxymethylamino)-5-methyl-2-[[4-[2-(1-methylcyclopropyl)ethoxy]-2-pyridinyl]methyl]hexanal
SMILESCOCNC(CC(C)C)C(C=O)(Cc1cc(OCCC2(C)CC2)ccn1)OCOC
InChIInChI=1S/C23H38N2O5/c1-18(2)12-21(25-16-27-4)23(15-26,30-17-28-5)14-19-13-20(6-10-24-19)29-11-9-22(3)7-8-22/h6,10,13,15,18,21,25H,7-9,11-12,14,16-17H2,1-5H3
InChIKeyLCZBUSUKQIZIIY-UHFFFAOYSA-N
XLogP3.36
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(methoxymethoxy)-3-(methoxymethylamino)-5-methyl-2-[[4-[2-(1-methylcyclopropyl)ethoxy]-2-pyridinyl]methyl]hexanal with MolForge

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Related Compounds

US10059720, Example 125
CID 130185009
US10059720, Example 82
CID 118549467
US10059720, Example 130
CID 130192751
US10059720, Example 72
CID 130184980
US10059720, Example 124
CID 130185000
US10059720, Example 86
CID 118549473
US10059720, Example 8
CID 118549477
US10059720, Example 9
CID 118549478
US10059720, Example 39
CID 118549480
US10059720, Example 37
CID 118549481
US10059720, Example 1
CID 118549482
US10059720, Example 4
CID 118549483

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)-3-(methoxymethylamino)-5-methyl-2-[[4-[2-(1-methylcyclopropyl)ethoxy]-2-pyridinyl]methyl]hexanal?
The IUPAC name of 2-(methoxymethoxy)-3-(methoxymethylamino)-5-methyl-2-[[4-[2-(1-methylcyclopropyl)ethoxy]-2-pyridinyl]methyl]hexanal (CID 126762621) is 2-(methoxymethoxy)-3-(methoxymethylamino)-5-methyl-2-[[4-[2-(1-methylcyclopropyl)ethoxy]-2-pyridinyl]methyl]hexanal.
What is the SMILES notation for 2-(methoxymethoxy)-3-(methoxymethylamino)-5-methyl-2-[[4-[2-(1-methylcyclopropyl)ethoxy]-2-pyridinyl]methyl]hexanal?
The canonical SMILES for 2-(methoxymethoxy)-3-(methoxymethylamino)-5-methyl-2-[[4-[2-(1-methylcyclopropyl)ethoxy]-2-pyridinyl]methyl]hexanal is COCNC(CC(C)C)C(C=O)(Cc1cc(OCCC2(C)CC2)ccn1)OCOC.
What is the InChIKey of 2-(methoxymethoxy)-3-(methoxymethylamino)-5-methyl-2-[[4-[2-(1-methylcyclopropyl)ethoxy]-2-pyridinyl]methyl]hexanal?
The InChIKey is LCZBUSUKQIZIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O5/c1-18(2)12-21(25-16-27-4)23(15-26,30-17-28-5)14-19-13-20(6-10-24-19)29-11-9-22(3)7-8-22/h6,10,13,15,18,21,25H,7-9,11-12,14,16-17H2,1-5H3.
What are the key properties of 2-(methoxymethoxy)-3-(methoxymethylamino)-5-methyl-2-[[4-[2-(1-methylcyclopropyl)ethoxy]-2-pyridinyl]methyl]hexanal?
2-(methoxymethoxy)-3-(methoxymethylamino)-5-methyl-2-[[4-[2-(1-methylcyclopropyl)ethoxy]-2-pyridinyl]methyl]hexanal has a molecular weight of 422.57 g/mol, XLogP of 3.36, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)-3-(methoxymethylamino)-5-methyl-2-[[4-[2-(1-methylcyclopropyl)ethoxy]-2-pyridinyl]methyl]hexanal is sourced from PubChem (CID 126762621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).