[4-[(hexylamino)methyl]oxan-4-yl]methanol

C13H27NO2 — CID 138581032

IUPAC[4-[(hexylamino)methyl]oxan-4-yl]methanol
SMILESCCCCCCNCC1(CO)CCOCC1
InChIInChI=1S/C13H27NO2/c1-2-3-4-5-8-14-11-13(12-15)6-9-16-10-7-13/h14-15H,2-12H2,1H3
InChIKeyYPDSZVGJBOYTJR-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.95
Rot. Bonds8

About [4-[(hexylamino)methyl]oxan-4-yl]methanol

[4-[(hexylamino)methyl]oxan-4-yl]methanol (PubChem CID 138581032) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [4-[(hexylamino)methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(hexylamino)methyl]oxan-4-yl]methanol
PubChem CID138581032
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[4-[(hexylamino)methyl]oxan-4-yl]methanol
SMILESCCCCCCNCC1(CO)CCOCC1
InChIInChI=1S/C13H27NO2/c1-2-3-4-5-8-14-11-13(12-15)6-9-16-10-7-13/h14-15H,2-12H2,1H3
InChIKeyYPDSZVGJBOYTJR-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(hexylamino)methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[(hexylamino)methyl]oxan-4-yl]methanol (CID 138581032) is [4-[(hexylamino)methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(hexylamino)methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[(hexylamino)methyl]oxan-4-yl]methanol is CCCCCCNCC1(CO)CCOCC1.
What is the InChIKey of [4-[(hexylamino)methyl]oxan-4-yl]methanol?
The InChIKey is YPDSZVGJBOYTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-2-3-4-5-8-14-11-13(12-15)6-9-16-10-7-13/h14-15H,2-12H2,1H3.
What are the key properties of [4-[(hexylamino)methyl]oxan-4-yl]methanol?
[4-[(hexylamino)methyl]oxan-4-yl]methanol has a molecular weight of 229.36 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(hexylamino)methyl]oxan-4-yl]methanol is sourced from PubChem (CID 138581032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).