(2R)-1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol

C12H25NO2 — CID 40840865

IUPAC(2R)-1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNC[C@@H](O)COC1CCCC1
InChIInChI=1S/C12H25NO2/c1-10(2)7-13-8-11(14)9-15-12-5-3-4-6-12/h10-14H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyDMOPHZYGCHJAKR-LLVKDONJSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds7

About (2R)-1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol

(2R)-1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol (PubChem CID 40840865) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (2R)-1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol
PubChem CID40840865
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(2R)-1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNC[C@@H](O)COC1CCCC1
InChIInChI=1S/C12H25NO2/c1-10(2)7-13-8-11(14)9-15-12-5-3-4-6-12/h10-14H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyDMOPHZYGCHJAKR-LLVKDONJSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of (2R)-1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol (CID 40840865) is (2R)-1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for (2R)-1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol is CC(C)CNC[C@@H](O)COC1CCCC1.
What is the InChIKey of (2R)-1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is DMOPHZYGCHJAKR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)7-13-8-11(14)9-15-12-5-3-4-6-12/h10-14H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol?
(2R)-1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-cyclopentyloxy-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 40840865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).