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

C12H25NO2 — CID 4579528

IUPAC1-(cyclopentylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CNC1CCCC1
InChIInChI=1S/C12H25NO2/c1-12(2,3)15-9-11(14)8-13-10-6-4-5-7-10/h10-11,13-14H,4-9H2,1-3H3
InChIKeyRDGBBXMMLZBPSX-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.69
Rot. Bonds5

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

1-(cyclopentylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 4579528) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID4579528
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(cyclopentylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CNC1CCCC1
InChIInChI=1S/C12H25NO2/c1-12(2,3)15-9-11(14)8-13-10-6-4-5-7-10/h10-11,13-14H,4-9H2,1-3H3
InChIKeyRDGBBXMMLZBPSX-UHFFFAOYSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-(cyclopentylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 4579528) is 1-(cyclopentylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(cyclopentylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(cyclopentylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)(C)OCC(O)CNC1CCCC1.
What is the InChIKey of 1-(cyclopentylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is RDGBBXMMLZBPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,3)15-9-11(14)8-13-10-6-4-5-7-10/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 1-(cyclopentylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-(cyclopentylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 4579528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).