1-(2-hydroxypropylamino)-3-methylpentan-2-ol

C9H21NO2 — CID 139916387

IUPAC1-(2-hydroxypropylamino)-3-methylpentan-2-ol
SMILESCCC(C)C(O)CNCC(C)O
InChIInChI=1S/C9H21NO2/c1-4-7(2)9(12)6-10-5-8(3)11/h7-12H,4-6H2,1-3H3
InChIKeyHSZIUONYPFUEGJ-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.36
Rot. Bonds6

About 1-(2-hydroxypropylamino)-3-methylpentan-2-ol

1-(2-hydroxypropylamino)-3-methylpentan-2-ol (PubChem CID 139916387) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-(2-hydroxypropylamino)-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxypropylamino)-3-methylpentan-2-ol
PubChem CID139916387
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1-(2-hydroxypropylamino)-3-methylpentan-2-ol
SMILESCCC(C)C(O)CNCC(C)O
InChIInChI=1S/C9H21NO2/c1-4-7(2)9(12)6-10-5-8(3)11/h7-12H,4-6H2,1-3H3
InChIKeyHSZIUONYPFUEGJ-UHFFFAOYSA-N
XLogP0.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropylamino)-3-methylpentan-2-ol?
The IUPAC name of 1-(2-hydroxypropylamino)-3-methylpentan-2-ol (CID 139916387) is 1-(2-hydroxypropylamino)-3-methylpentan-2-ol.
What is the SMILES notation for 1-(2-hydroxypropylamino)-3-methylpentan-2-ol?
The canonical SMILES for 1-(2-hydroxypropylamino)-3-methylpentan-2-ol is CCC(C)C(O)CNCC(C)O.
What is the InChIKey of 1-(2-hydroxypropylamino)-3-methylpentan-2-ol?
The InChIKey is HSZIUONYPFUEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-7(2)9(12)6-10-5-8(3)11/h7-12H,4-6H2,1-3H3.
What are the key properties of 1-(2-hydroxypropylamino)-3-methylpentan-2-ol?
1-(2-hydroxypropylamino)-3-methylpentan-2-ol has a molecular weight of 175.27 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropylamino)-3-methylpentan-2-ol is sourced from PubChem (CID 139916387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).