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

C15H33NO5 — CID 104567852

IUPAC4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
SMILESCCCCOCCOCCOCCOCCC(CO)NC
InChIInChI=1S/C15H33NO5/c1-3-4-6-18-8-10-20-12-13-21-11-9-19-7-5-15(14-17)16-2/h15-17H,3-14H2,1-2H3
InChIKeyYUIDNIXJMVZCQG-UHFFFAOYSA-N
MW307.43 g/mol
LogP0.82
Rot. Bonds17

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

4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol (PubChem CID 104567852) has the molecular formula C15H33NO5 and a molecular weight of 307.43 g/mol. Its IUPAC name is 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
PubChem CID104567852
Molecular FormulaC15H33NO5
Molecular Weight307.43 g/mol
Exact Mass307.24
IUPAC Name4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
SMILESCCCCOCCOCCOCCOCCC(CO)NC
InChIInChI=1S/C15H33NO5/c1-3-4-6-18-8-10-20-12-13-21-11-9-19-7-5-15(14-17)16-2/h15-17H,3-14H2,1-2H3
InChIKeyYUIDNIXJMVZCQG-UHFFFAOYSA-N
XLogP0.82
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-butoxyethoxy)-2-(methylamino)propan-1-ol
CID 64804616
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
CID 104567739
1-butoxy-5-methoxy-N-methylpentan-3-amine
CID 114998768
2-(methylamino)hexadecan-1-ol
CID 118696061
2-(ethylamino)-4-octoxybutan-1-ol
CID 64811462
6-butoxy-N-methylhexan-3-amine
CID 61483969
5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine
CID 115002355
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol
CID 104568624
3-(2-butoxyethoxy)-2-(cyclopropylamino)propan-1-ol
CID 64804409
N-methyl-6-octoxyhexan-3-amine
CID 106800853
1-butoxybutane;N-methylmethanamine
CID 88830911
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine
CID 104564635

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol?
The IUPAC name of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol (CID 104567852) is 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol is CCCCOCCOCCOCCOCCC(CO)NC.
What is the InChIKey of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol?
The InChIKey is YUIDNIXJMVZCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO5/c1-3-4-6-18-8-10-20-12-13-21-11-9-19-7-5-15(14-17)16-2/h15-17H,3-14H2,1-2H3.
What are the key properties of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol?
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol has a molecular weight of 307.43 g/mol, XLogP of 0.82, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol is sourced from PubChem (CID 104567852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).