1-(cyclopropylamino)-4-methoxy-2,4-dimethylpentan-2-ol

C11H23NO2 — CID 62774509

IUPAC1-(cyclopropylamino)-4-methoxy-2,4-dimethylpentan-2-ol
SMILESCOC(C)(C)CC(C)(O)CNC1CC1
InChIInChI=1S/C11H23NO2/c1-10(2,14-4)7-11(3,13)8-12-9-5-6-9/h9,12-13H,5-8H2,1-4H3
InChIKeyNOYMGHVHVRIUEK-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.30
Rot. Bonds6

About 1-(cyclopropylamino)-4-methoxy-2,4-dimethylpentan-2-ol

1-(cyclopropylamino)-4-methoxy-2,4-dimethylpentan-2-ol (PubChem CID 62774509) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(cyclopropylamino)-4-methoxy-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-4-methoxy-2,4-dimethylpentan-2-ol
PubChem CID62774509
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-(cyclopropylamino)-4-methoxy-2,4-dimethylpentan-2-ol
SMILESCOC(C)(C)CC(C)(O)CNC1CC1
InChIInChI=1S/C11H23NO2/c1-10(2,14-4)7-11(3,13)8-12-9-5-6-9/h9,12-13H,5-8H2,1-4H3
InChIKeyNOYMGHVHVRIUEK-UHFFFAOYSA-N
XLogP1.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-4-methoxy-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-4-methoxy-2,4-dimethylpentan-2-ol (CID 62774509) is 1-(cyclopropylamino)-4-methoxy-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-4-methoxy-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-4-methoxy-2,4-dimethylpentan-2-ol is COC(C)(C)CC(C)(O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-4-methoxy-2,4-dimethylpentan-2-ol?
The InChIKey is NOYMGHVHVRIUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2,14-4)7-11(3,13)8-12-9-5-6-9/h9,12-13H,5-8H2,1-4H3.
What are the key properties of 1-(cyclopropylamino)-4-methoxy-2,4-dimethylpentan-2-ol?
1-(cyclopropylamino)-4-methoxy-2,4-dimethylpentan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-4-methoxy-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 62774509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).