4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol

C12H27NO5 — CID 104567739

IUPAC4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCOCCOCCOCCOC
InChIInChI=1S/C12H27NO5/c1-13-12(11-14)3-4-16-7-8-18-10-9-17-6-5-15-2/h12-14H,3-11H2,1-2H3
InChIKeyLQYCQVUYTLMKSC-UHFFFAOYSA-N
MW265.35 g/mol
LogP-0.35
Rot. Bonds14

About 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol

4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol (PubChem CID 104567739) has the molecular formula C12H27NO5 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
PubChem CID104567739
Molecular FormulaC12H27NO5
Molecular Weight265.35 g/mol
Exact Mass265.19
IUPAC Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCOCCOCCOCCOC
InChIInChI=1S/C12H27NO5/c1-13-12(11-14)3-4-16-7-8-18-10-9-17-6-5-15-2/h12-14H,3-11H2,1-2H3
InChIKeyLQYCQVUYTLMKSC-UHFFFAOYSA-N
XLogP-0.35
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
CID 104567852
1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine
CID 102928078
4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol
CID 64899711
1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
CID 176738271
2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104567674
1-butoxy-5-methoxy-N-methylpentan-3-amine
CID 114998768
3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine
CID 104564561
1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol
CID 162081767
N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide
CID 157037781
ethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87301416
4-(2-methoxyethoxy)butan-2-ol
CID 21045149
1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928168

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol?
The IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol (CID 104567739) is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol is CNC(CO)CCOCCOCCOCCOC.
What is the InChIKey of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol?
The InChIKey is LQYCQVUYTLMKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO5/c1-13-12(11-14)3-4-16-7-8-18-10-9-17-6-5-15-2/h12-14H,3-11H2,1-2H3.
What are the key properties of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol?
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol has a molecular weight of 265.35 g/mol, XLogP of -0.35, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol is sourced from PubChem (CID 104567739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).