(2R)-1-(dipropylamino)-3-[(E)-prop-1-enoxy]propan-2-ol

C12H25NO2 — CID 145119813

IUPAC(2R)-1-(dipropylamino)-3-[(E)-prop-1-enoxy]propan-2-ol
SMILESC/C=C/OC[C@H](O)CN(CCC)CCC
InChIInChI=1S/C12H25NO2/c1-4-7-13(8-5-2)10-12(14)11-15-9-6-3/h6,9,12,14H,4-5,7-8,10-11H2,1-3H3/b9-6+/t12-/m1/s1
InChIKeyFFPZXRSTZCLYKR-UVMWJGKXSA-N
MW215.34 g/mol
LogP2.02
Rot. Bonds9

About (2R)-1-(dipropylamino)-3-[(E)-prop-1-enoxy]propan-2-ol

(2R)-1-(dipropylamino)-3-[(E)-prop-1-enoxy]propan-2-ol (PubChem CID 145119813) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (2R)-1-(dipropylamino)-3-[(E)-prop-1-enoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(dipropylamino)-3-[(E)-prop-1-enoxy]propan-2-ol
PubChem CID145119813
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(2R)-1-(dipropylamino)-3-[(E)-prop-1-enoxy]propan-2-ol
SMILESC/C=C/OC[C@H](O)CN(CCC)CCC
InChIInChI=1S/C12H25NO2/c1-4-7-13(8-5-2)10-12(14)11-15-9-6-3/h6,9,12,14H,4-5,7-8,10-11H2,1-3H3/b9-6+/t12-/m1/s1
InChIKeyFFPZXRSTZCLYKR-UVMWJGKXSA-N
XLogP2.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(dipropylamino)-3-[(E)-prop-1-enoxy]propan-2-ol?
The IUPAC name of (2R)-1-(dipropylamino)-3-[(E)-prop-1-enoxy]propan-2-ol (CID 145119813) is (2R)-1-(dipropylamino)-3-[(E)-prop-1-enoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-(dipropylamino)-3-[(E)-prop-1-enoxy]propan-2-ol?
The canonical SMILES for (2R)-1-(dipropylamino)-3-[(E)-prop-1-enoxy]propan-2-ol is C/C=C/OC[C@H](O)CN(CCC)CCC.
What is the InChIKey of (2R)-1-(dipropylamino)-3-[(E)-prop-1-enoxy]propan-2-ol?
The InChIKey is FFPZXRSTZCLYKR-UVMWJGKXSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-7-13(8-5-2)10-12(14)11-15-9-6-3/h6,9,12,14H,4-5,7-8,10-11H2,1-3H3/b9-6+/t12-/m1/s1.
What are the key properties of (2R)-1-(dipropylamino)-3-[(E)-prop-1-enoxy]propan-2-ol?
(2R)-1-(dipropylamino)-3-[(E)-prop-1-enoxy]propan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(dipropylamino)-3-[(E)-prop-1-enoxy]propan-2-ol is sourced from PubChem (CID 145119813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).