1-(cyclobutylamino)-3-hexoxypropan-2-ol

C13H27NO2 — CID 62415937

IUPAC1-(cyclobutylamino)-3-hexoxypropan-2-ol
SMILESCCCCCCOCC(O)CNC1CCC1
InChIInChI=1S/C13H27NO2/c1-2-3-4-5-9-16-11-13(15)10-14-12-7-6-8-12/h12-15H,2-11H2,1H3
InChIKeyIXMGQAHTNHQXMD-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.09
Rot. Bonds10

About 1-(cyclobutylamino)-3-hexoxypropan-2-ol

1-(cyclobutylamino)-3-hexoxypropan-2-ol (PubChem CID 62415937) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(cyclobutylamino)-3-hexoxypropan-2-ol.

Molecular Properties

Compound Name1-(cyclobutylamino)-3-hexoxypropan-2-ol
PubChem CID62415937
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(cyclobutylamino)-3-hexoxypropan-2-ol
SMILESCCCCCCOCC(O)CNC1CCC1
InChIInChI=1S/C13H27NO2/c1-2-3-4-5-9-16-11-13(15)10-14-12-7-6-8-12/h12-15H,2-11H2,1H3
InChIKeyIXMGQAHTNHQXMD-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.09
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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Related Compounds

1-(cyclooctylamino)-3-hexoxypropan-2-ol
CID 60635229
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
CID 60633253
1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909698
1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol
CID 60909696
1-octoxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103062780
1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 107262664
1-[(2-methylcyclohexyl)amino]-3-octoxypropan-2-ol
CID 60632322
1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
CID 107262875
1-hexoxy-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79357968
1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol
CID 81395639
1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 107263143

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylamino)-3-hexoxypropan-2-ol?
The IUPAC name of 1-(cyclobutylamino)-3-hexoxypropan-2-ol (CID 62415937) is 1-(cyclobutylamino)-3-hexoxypropan-2-ol.
What is the SMILES notation for 1-(cyclobutylamino)-3-hexoxypropan-2-ol?
The canonical SMILES for 1-(cyclobutylamino)-3-hexoxypropan-2-ol is CCCCCCOCC(O)CNC1CCC1.
What is the InChIKey of 1-(cyclobutylamino)-3-hexoxypropan-2-ol?
The InChIKey is IXMGQAHTNHQXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-2-3-4-5-9-16-11-13(15)10-14-12-7-6-8-12/h12-15H,2-11H2,1H3.
What are the key properties of 1-(cyclobutylamino)-3-hexoxypropan-2-ol?
1-(cyclobutylamino)-3-hexoxypropan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylamino)-3-hexoxypropan-2-ol is sourced from PubChem (CID 62415937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).