1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol

C15H31NO3 — CID 60633253

IUPAC1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
SMILESCCCCOCCOCC(O)CNC1CCCCC1
InChIInChI=1S/C15H31NO3/c1-2-3-9-18-10-11-19-13-15(17)12-16-14-7-5-4-6-8-14/h14-17H,2-13H2,1H3
InChIKeyMXHQWRTWJZGFIZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.10
Rot. Bonds11

About 1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol

1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol (PubChem CID 60633253) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
PubChem CID60633253
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
SMILESCCCCOCCOCC(O)CNC1CCCCC1
InChIInChI=1S/C15H31NO3/c1-2-3-9-18-10-11-19-13-15(17)12-16-14-7-5-4-6-8-14/h14-17H,2-13H2,1H3
InChIKeyMXHQWRTWJZGFIZ-UHFFFAOYSA-N
XLogP2.10
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.10
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-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
1-(cyclooctylamino)-3-hexoxypropan-2-ol
CID 60635229
1-(cyclobutylamino)-3-hexoxypropan-2-ol
CID 62415937
1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 107262664
1-(cycloheptylamino)-3-ethoxypropan-2-ol
CID 63933573
1-(2-butoxyethoxy)-3-[(1,1-dioxothian-3-yl)amino]propan-2-ol
CID 63922339
1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 107263143
1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60635542
1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol
CID 107262975
1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
CID 107262875
1-(2-butoxyethoxy)-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63828907
1-[2-(4-bromophenoxy)ethoxy]-3-(cyclohexylamino)propan-2-ol
CID 11835432

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol (CID 60633253) is 1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol is CCCCOCCOCC(O)CNC1CCCCC1.
What is the InChIKey of 1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol?
The InChIKey is MXHQWRTWJZGFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-2-3-9-18-10-11-19-13-15(17)12-16-14-7-5-4-6-8-14/h14-17H,2-13H2,1H3.
What are the key properties of 1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol?
1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol has a molecular weight of 273.42 g/mol, XLogP of 2.10, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol is sourced from PubChem (CID 60633253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).