4-methoxy-2,4-dimethyl-1-(propan-2-ylamino)pentan-2-ol

C11H25NO2 — CID 62774317

IUPAC4-methoxy-2,4-dimethyl-1-(propan-2-ylamino)pentan-2-ol
SMILESCOC(C)(C)CC(C)(O)CNC(C)C
InChIInChI=1S/C11H25NO2/c1-9(2)12-8-11(5,13)7-10(3,4)14-6/h9,12-13H,7-8H2,1-6H3
InChIKeyBJLKJGDMHPKSQB-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.55
Rot. Bonds6

About 4-methoxy-2,4-dimethyl-1-(propan-2-ylamino)pentan-2-ol

4-methoxy-2,4-dimethyl-1-(propan-2-ylamino)pentan-2-ol (PubChem CID 62774317) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-methoxy-2,4-dimethyl-1-(propan-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name4-methoxy-2,4-dimethyl-1-(propan-2-ylamino)pentan-2-ol
PubChem CID62774317
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name4-methoxy-2,4-dimethyl-1-(propan-2-ylamino)pentan-2-ol
SMILESCOC(C)(C)CC(C)(O)CNC(C)C
InChIInChI=1S/C11H25NO2/c1-9(2)12-8-11(5,13)7-10(3,4)14-6/h9,12-13H,7-8H2,1-6H3
InChIKeyBJLKJGDMHPKSQB-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,4-dimethyl-1-(propan-2-ylamino)pentan-2-ol?
The IUPAC name of 4-methoxy-2,4-dimethyl-1-(propan-2-ylamino)pentan-2-ol (CID 62774317) is 4-methoxy-2,4-dimethyl-1-(propan-2-ylamino)pentan-2-ol.
What is the SMILES notation for 4-methoxy-2,4-dimethyl-1-(propan-2-ylamino)pentan-2-ol?
The canonical SMILES for 4-methoxy-2,4-dimethyl-1-(propan-2-ylamino)pentan-2-ol is COC(C)(C)CC(C)(O)CNC(C)C.
What is the InChIKey of 4-methoxy-2,4-dimethyl-1-(propan-2-ylamino)pentan-2-ol?
The InChIKey is BJLKJGDMHPKSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-9(2)12-8-11(5,13)7-10(3,4)14-6/h9,12-13H,7-8H2,1-6H3.
What are the key properties of 4-methoxy-2,4-dimethyl-1-(propan-2-ylamino)pentan-2-ol?
4-methoxy-2,4-dimethyl-1-(propan-2-ylamino)pentan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4-dimethyl-1-(propan-2-ylamino)pentan-2-ol is sourced from PubChem (CID 62774317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).