4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol

C12H27NO4 — CID 87183048

IUPAC4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol
SMILESCCCCN(OCCCCO)OCCCCO
InChIInChI=1S/C12H27NO4/c1-2-3-8-13(16-11-6-4-9-14)17-12-7-5-10-15/h14-15H,2-12H2,1H3
InChIKeyMBAYPYYSOVEKJZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.50
Rot. Bonds13

About 4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol

4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol (PubChem CID 87183048) has the molecular formula C12H27NO4 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol.

Molecular Properties

Compound Name4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol
PubChem CID87183048
Molecular FormulaC12H27NO4
Molecular Weight249.35 g/mol
Exact Mass249.19
IUPAC Name4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol
SMILESCCCCN(OCCCCO)OCCCCO
InChIInChI=1S/C12H27NO4/c1-2-3-8-13(16-11-6-4-9-14)17-12-7-5-10-15/h14-15H,2-12H2,1H3
InChIKeyMBAYPYYSOVEKJZ-UHFFFAOYSA-N
XLogP1.50
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-didecoxybutan-1-amine
CID 57054979
2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol
CID 87327457
2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid
CID 173031633
2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid
CID 173031616
tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid
CID 173155044
2-[dodecoxy(ethyl)amino]ethanol
CID 19017012
3-amino-3-heptadecylpentane-1,5-diol;2-[butyl(2-hydroxyethoxy)amino]oxyethanol
CID 174172810
4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol
CID 87472391
2-[heptadecyl(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid
CID 174704040
2-[2-hydroxyethoxy(pentadecyl)amino]oxyethanol;octadecanoic acid
CID 90146048
8-[butyl(8-hydroxyoctyl)amino]octan-1-ol
CID 139645633
5-octoxypentan-1-ol
CID 22407981

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol?
The IUPAC name of 4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol (CID 87183048) is 4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol.
What is the SMILES notation for 4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol?
The canonical SMILES for 4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol is CCCCN(OCCCCO)OCCCCO.
What is the InChIKey of 4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol?
The InChIKey is MBAYPYYSOVEKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4/c1-2-3-8-13(16-11-6-4-9-14)17-12-7-5-10-15/h14-15H,2-12H2,1H3.
What are the key properties of 4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol?
4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 1.50, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol is sourced from PubChem (CID 87183048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).