4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol

C14H31NO5 — CID 104560529

IUPAC4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)COCCOCCOCCOC
InChIInChI=1S/C14H31NO5/c1-3-5-15-14(4-6-16)13-20-12-11-19-10-9-18-8-7-17-2/h14-16H,3-13H2,1-2H3
InChIKeyMVPPFHIDMRUTSF-UHFFFAOYSA-N
MW293.40 g/mol
LogP0.43
Rot. Bonds16

About 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol

4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol (PubChem CID 104560529) has the molecular formula C14H31NO5 and a molecular weight of 293.40 g/mol. Its IUPAC name is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol
PubChem CID104560529
Molecular FormulaC14H31NO5
Molecular Weight293.40 g/mol
Exact Mass293.22
IUPAC Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)COCCOCCOCCOC
InChIInChI=1S/C14H31NO5/c1-3-5-15-14(4-6-16)13-20-12-11-19-10-9-18-8-7-17-2/h14-16H,3-13H2,1-2H3
InChIKeyMVPPFHIDMRUTSF-UHFFFAOYSA-N
XLogP0.43
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 50.43
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-propoxyethoxy)-3-(propylamino)butan-1-ol
CID 64898660
4-(2-methoxyethoxy)-3-(methylamino)butan-1-ol
CID 64899711
1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
CID 115712453
3-(3-ethoxypropylamino)-4-methoxybutan-1-ol
CID 106159789
1-(2-methoxyethoxy)-5-methyl-N-propylhex-5-en-3-amine
CID 102928563
3-propoxy-2-(propylamino)propan-1-ol
CID 64808128
2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263
4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899284
ethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87301416
5-methyl-1-propoxy-N-propylhexan-2-amine
CID 62605077
4-ethoxy-1-propoxy-N-propylbutan-2-amine
CID 112688262
4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol
CID 64900179

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol?
The IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol (CID 104560529) is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol is CCCNC(CCO)COCCOCCOCCOC.
What is the InChIKey of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol?
The InChIKey is MVPPFHIDMRUTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO5/c1-3-5-15-14(4-6-16)13-20-12-11-19-10-9-18-8-7-17-2/h14-16H,3-13H2,1-2H3.
What are the key properties of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol?
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol has a molecular weight of 293.40 g/mol, XLogP of 0.43, 16 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]-3-(propylamino)butan-1-ol is sourced from PubChem (CID 104560529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).