1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol

C15H31NO2 — CID 113478776

IUPAC1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol
SMILESCC(C)CCCOCC(O)CNCCC1CCC1
InChIInChI=1S/C15H31NO2/c1-13(2)5-4-10-18-12-15(17)11-16-9-8-14-6-3-7-14/h13-17H,3-12H2,1-2H3
InChIKeyWTYZKYXYNDARAI-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.58
Rot. Bonds11

About 1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol

1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol (PubChem CID 113478776) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol
PubChem CID113478776
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol
SMILESCC(C)CCCOCC(O)CNCCC1CCC1
InChIInChI=1S/C15H31NO2/c1-13(2)5-4-10-18-12-15(17)11-16-9-8-14-6-3-7-14/h13-17H,3-12H2,1-2H3
InChIKeyWTYZKYXYNDARAI-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.58
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-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585726
1-(4-methylpentoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712373
1-(4-methylpentoxy)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 60669637
1-(4-methoxybutylamino)-3-(4-methylpentoxy)propan-2-ol
CID 60971092
1-(4-methylpentoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115518703
1-(4-methylpentoxy)-3-(thiolan-2-ylmethylamino)propan-2-ol
CID 80585436
1-(2-aminoethylamino)-3-(7-methyloctoxy)propan-2-ol
CID 175928997
(2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol
CID 92759286
methyl 3-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]propanoate
CID 54935915
1-(4-methylpentoxy)-3-(3-methylsulfonylpropylamino)propan-2-ol
CID 54905327
1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol
CID 65122363
1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol
CID 60909797

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol?
The IUPAC name of 1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol (CID 113478776) is 1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol.
What is the SMILES notation for 1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol?
The canonical SMILES for 1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol is CC(C)CCCOCC(O)CNCCC1CCC1.
What is the InChIKey of 1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol?
The InChIKey is WTYZKYXYNDARAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-13(2)5-4-10-18-12-15(17)11-16-9-8-14-6-3-7-14/h13-17H,3-12H2,1-2H3.
What are the key properties of 1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol?
1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.58, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol is sourced from PubChem (CID 113478776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).