1-methoxy-N-(1-methoxyethyl)ethanamine;2-undecylpropanedioic acid

C20H41NO6 — CID 87299443

IUPAC1-methoxy-N-(1-methoxyethyl)ethanamine;2-undecylpropanedioic acid
SMILESCCCCCCCCCCCC(C(=O)O)C(=O)O.COC(C)NC(C)OC
InChIInChI=1S/C14H26O4.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12(13(15)16)14(17)18;1-5(8-3)7-6(2)9-4/h12H,2-11H2,1H3,(H,15,16)(H,17,18);5-7H,1-4H3
InChIKeyFBVYSKVAMKSYHO-UHFFFAOYSA-N
MW391.55 g/mol
LogP4.25
Rot. Bonds16

About 1-methoxy-N-(1-methoxyethyl)ethanamine;2-undecylpropanedioic acid

1-methoxy-N-(1-methoxyethyl)ethanamine;2-undecylpropanedioic acid (PubChem CID 87299443) has the molecular formula C20H41NO6 and a molecular weight of 391.55 g/mol. Its IUPAC name is 1-methoxy-N-(1-methoxyethyl)ethanamine;2-undecylpropanedioic acid.

Molecular Properties

Compound Name1-methoxy-N-(1-methoxyethyl)ethanamine;2-undecylpropanedioic acid
PubChem CID87299443
Molecular FormulaC20H41NO6
Molecular Weight391.55 g/mol
Exact Mass391.29
IUPAC Name1-methoxy-N-(1-methoxyethyl)ethanamine;2-undecylpropanedioic acid
SMILESCCCCCCCCCCCC(C(=O)O)C(=O)O.COC(C)NC(C)OC
InChIInChI=1S/C14H26O4.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12(13(15)16)14(17)18;1-5(8-3)7-6(2)9-4/h12H,2-11H2,1H3,(H,15,16)(H,17,18);5-7H,1-4H3
InChIKeyFBVYSKVAMKSYHO-UHFFFAOYSA-N
XLogP4.25
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.55
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
calcium;2-dodecylpropanedioic acid;hydride
CID 174967778
magnesium;2-decylpropanedioic acid;hydride
CID 174968780
2-decylpropanedioic acid;ethane-1,2-diol
CID 174702974
2-(8-nonyl-9-octyloctadecyl)propanedioic acid
CID 142769459
dimethyl 2-dodecylpropanedioate
CID 158514957
trilithium;2-octylpropanedioic acid;borate
CID 175907806
dodecanedioic acid;2-undecylpropanedioic acid
CID 160978167
2-(6-ethylpentadecyl)propanedioic acid
CID 87568390
2-methoxytetracosanoic acid
CID 10453501

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(1-methoxyethyl)ethanamine;2-undecylpropanedioic acid?
The IUPAC name of 1-methoxy-N-(1-methoxyethyl)ethanamine;2-undecylpropanedioic acid (CID 87299443) is 1-methoxy-N-(1-methoxyethyl)ethanamine;2-undecylpropanedioic acid.
What is the SMILES notation for 1-methoxy-N-(1-methoxyethyl)ethanamine;2-undecylpropanedioic acid?
The canonical SMILES for 1-methoxy-N-(1-methoxyethyl)ethanamine;2-undecylpropanedioic acid is CCCCCCCCCCCC(C(=O)O)C(=O)O.COC(C)NC(C)OC.
What is the InChIKey of 1-methoxy-N-(1-methoxyethyl)ethanamine;2-undecylpropanedioic acid?
The InChIKey is FBVYSKVAMKSYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12(13(15)16)14(17)18;1-5(8-3)7-6(2)9-4/h12H,2-11H2,1H3,(H,15,16)(H,17,18);5-7H,1-4H3.
What are the key properties of 1-methoxy-N-(1-methoxyethyl)ethanamine;2-undecylpropanedioic acid?
1-methoxy-N-(1-methoxyethyl)ethanamine;2-undecylpropanedioic acid has a molecular weight of 391.55 g/mol, XLogP of 4.25, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(1-methoxyethyl)ethanamine;2-undecylpropanedioic acid is sourced from PubChem (CID 87299443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).