4-[(2-butoxyethylamino)methyl]oxan-4-ol

C12H25NO3 — CID 81131048

IUPAC4-[(2-butoxyethylamino)methyl]oxan-4-ol
SMILESCCCCOCCNCC1(O)CCOCC1
InChIInChI=1S/C12H25NO3/c1-2-3-7-15-10-6-13-11-12(14)4-8-16-9-5-12/h13-14H,2-11H2,1H3
InChIKeyZTXOVKJFLXZNID-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.93
Rot. Bonds8

About 4-[(2-butoxyethylamino)methyl]oxan-4-ol

4-[(2-butoxyethylamino)methyl]oxan-4-ol (PubChem CID 81131048) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-[(2-butoxyethylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(2-butoxyethylamino)methyl]oxan-4-ol
PubChem CID81131048
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name4-[(2-butoxyethylamino)methyl]oxan-4-ol
SMILESCCCCOCCNCC1(O)CCOCC1
InChIInChI=1S/C12H25NO3/c1-2-3-7-15-10-6-13-11-12(14)4-8-16-9-5-12/h13-14H,2-11H2,1H3
InChIKeyZTXOVKJFLXZNID-UHFFFAOYSA-N
XLogP0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-butoxyethylamino)methyl]cyclopentan-1-ol
CID 65108781
1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol
CID 106452596
3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100411
1-(butylaminomethyl)cyclopropan-1-ol
CID 89141441
4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol
CID 103179102
4-[(2-methylidenebutylamino)methyl]oxan-4-ol
CID 81131211
5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile
CID 81130543
4-(propoxymethyl)oxan-4-ol
CID 79568343
4-[(methoxyamino)methyl]oxan-4-ol
CID 130638339
4-(ethylaminomethyl)oxepan-4-ol
CID 65080985
4-butyloxan-4-ol
CID 65145508
4-[[(3-butoxy-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 119114989

Frequently Asked Questions

What is the IUPAC name of 4-[(2-butoxyethylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(2-butoxyethylamino)methyl]oxan-4-ol (CID 81131048) is 4-[(2-butoxyethylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(2-butoxyethylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(2-butoxyethylamino)methyl]oxan-4-ol is CCCCOCCNCC1(O)CCOCC1.
What is the InChIKey of 4-[(2-butoxyethylamino)methyl]oxan-4-ol?
The InChIKey is ZTXOVKJFLXZNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-2-3-7-15-10-6-13-11-12(14)4-8-16-9-5-12/h13-14H,2-11H2,1H3.
What are the key properties of 4-[(2-butoxyethylamino)methyl]oxan-4-ol?
4-[(2-butoxyethylamino)methyl]oxan-4-ol has a molecular weight of 231.34 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-butoxyethylamino)methyl]oxan-4-ol is sourced from PubChem (CID 81131048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).