cyclohexyl-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]azanium

C13H28NO2+ — CID 8741573

IUPACcyclohexyl-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]azanium
SMILESCC(C)(C)OC[C@H](O)C[NH2+]C1CCCCC1
InChIInChI=1S/C13H27NO2/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/p+1/t12-/m1/s1
InChIKeyGCKSLZXHJMZOTL-GFCCVEGCSA-O
MW230.37 g/mol
LogP1.06
Rot. Bonds5

About cyclohexyl-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]azanium

cyclohexyl-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]azanium (PubChem CID 8741573) has the molecular formula C13H28NO2+ and a molecular weight of 230.37 g/mol. Its IUPAC name is cyclohexyl-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]azanium.

Molecular Properties

Compound Namecyclohexyl-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]azanium
PubChem CID8741573
Molecular FormulaC13H28NO2+
Molecular Weight230.37 g/mol
Exact Mass230.21
IUPAC Namecyclohexyl-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]azanium
SMILESCC(C)(C)OC[C@H](O)C[NH2+]C1CCCCC1
InChIInChI=1S/C13H27NO2/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/p+1/t12-/m1/s1
InChIKeyGCKSLZXHJMZOTL-GFCCVEGCSA-O
XLogP1.06
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]azanium?
The IUPAC name of cyclohexyl-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]azanium (CID 8741573) is cyclohexyl-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]azanium.
What is the SMILES notation for cyclohexyl-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]azanium?
The canonical SMILES for cyclohexyl-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]azanium is CC(C)(C)OC[C@H](O)C[NH2+]C1CCCCC1.
What is the InChIKey of cyclohexyl-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]azanium?
The InChIKey is GCKSLZXHJMZOTL-GFCCVEGCSA-O. The full InChI is InChI=1S/C13H27NO2/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/p+1/t12-/m1/s1.
What are the key properties of cyclohexyl-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]azanium?
cyclohexyl-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]azanium has a molecular weight of 230.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]azanium is sourced from PubChem (CID 8741573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).