[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol

C11H23NO2 — CID 79640901

IUPAC[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCOC1CCCC(CO)(NC(C)C)C1
InChIInChI=1S/C11H23NO2/c1-9(2)12-11(8-13)6-4-5-10(7-11)14-3/h9-10,12-13H,4-8H2,1-3H3
InChIKeyDWJAUOLPLGHHHU-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.30
Rot. Bonds4

About [3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol

[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol (PubChem CID 79640901) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is [3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol
PubChem CID79640901
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCOC1CCCC(CO)(NC(C)C)C1
InChIInChI=1S/C11H23NO2/c1-9(2)12-11(8-13)6-4-5-10(7-11)14-3/h9-10,12-13H,4-8H2,1-3H3
InChIKeyDWJAUOLPLGHHHU-UHFFFAOYSA-N
XLogP1.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 [3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol (CID 79640901) is [3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol is COC1CCCC(CO)(NC(C)C)C1.
What is the InChIKey of [3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol?
The InChIKey is DWJAUOLPLGHHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)12-11(8-13)6-4-5-10(7-11)14-3/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of [3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol?
[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol has a molecular weight of 201.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).