1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride

C13H28ClNO2 — CID 18593267

IUPAC1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride
SMILESCC(C)(C)OCC(O)CNC1CCCCC1.Cl
InChIInChI=1S/C13H27NO2.ClH/c1-13(2,3)16-10-12(15)9-14-11-7-5-4-6-8-11;/h11-12,14-15H,4-10H2,1-3H3;1H
InChIKeyJWNMZJMAUSNPGH-UHFFFAOYSA-N
MW265.82 g/mol
LogP2.51
Rot. Bonds5

About 1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride

1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride (PubChem CID 18593267) has the molecular formula C13H28ClNO2 and a molecular weight of 265.82 g/mol. Its IUPAC name is 1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride
PubChem CID18593267
Molecular FormulaC13H28ClNO2
Molecular Weight265.82 g/mol
Exact Mass265.18
IUPAC Name1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride
SMILESCC(C)(C)OCC(O)CNC1CCCCC1.Cl
InChIInChI=1S/C13H27NO2.ClH/c1-13(2,3)16-10-12(15)9-14-11-7-5-4-6-8-11;/h11-12,14-15H,4-10H2,1-3H3;1H
InChIKeyJWNMZJMAUSNPGH-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.82
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
The IUPAC name of 1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride (CID 18593267) is 1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride is CC(C)(C)OCC(O)CNC1CCCCC1.Cl.
What is the InChIKey of 1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
The InChIKey is JWNMZJMAUSNPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2.ClH/c1-13(2,3)16-10-12(15)9-14-11-7-5-4-6-8-11;/h11-12,14-15H,4-10H2,1-3H3;1H.
What are the key properties of 1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride?
1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride has a molecular weight of 265.82 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 18593267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).