1-(cyclooctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C15H31NO2 — CID 4298301

IUPAC1-(cyclooctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CNC1CCCCCCC1
InChIInChI=1S/C15H31NO2/c1-15(2,3)18-12-14(17)11-16-13-9-7-5-4-6-8-10-13/h13-14,16-17H,4-12H2,1-3H3
InChIKeyUUCBCPFJHNHOIM-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.86
Rot. Bonds5

About 1-(cyclooctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-(cyclooctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 4298301) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(cyclooctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(cyclooctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID4298301
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-(cyclooctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CNC1CCCCCCC1
InChIInChI=1S/C15H31NO2/c1-15(2,3)18-12-14(17)11-16-13-9-7-5-4-6-8-10-13/h13-14,16-17H,4-12H2,1-3H3
InChIKeyUUCBCPFJHNHOIM-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclooctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-(cyclooctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 4298301) is 1-(cyclooctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(cyclooctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(cyclooctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)(C)OCC(O)CNC1CCCCCCC1.
What is the InChIKey of 1-(cyclooctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is UUCBCPFJHNHOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-15(2,3)18-12-14(17)11-16-13-9-7-5-4-6-8-10-13/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of 1-(cyclooctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-(cyclooctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclooctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 4298301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).