1-cyclohex-2-en-1-yloxy-3-(methylamino)propan-2-ol

C10H19NO2 — CID 59563408

IUPAC1-cyclohex-2-en-1-yloxy-3-(methylamino)propan-2-ol
SMILESCNCC(O)COC1C=CCCC1
InChIInChI=1S/C10H19NO2/c1-11-7-9(12)8-13-10-5-3-2-4-6-10/h3,5,9-12H,2,4,6-8H2,1H3
InChIKeyKEULSOWSHQTPTR-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.69
Rot. Bonds5

About 1-cyclohex-2-en-1-yloxy-3-(methylamino)propan-2-ol

1-cyclohex-2-en-1-yloxy-3-(methylamino)propan-2-ol (PubChem CID 59563408) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yloxy-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yloxy-3-(methylamino)propan-2-ol
PubChem CID59563408
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-cyclohex-2-en-1-yloxy-3-(methylamino)propan-2-ol
SMILESCNCC(O)COC1C=CCCC1
InChIInChI=1S/C10H19NO2/c1-11-7-9(12)8-13-10-5-3-2-4-6-10/h3,5,9-12H,2,4,6-8H2,1H3
InChIKeyKEULSOWSHQTPTR-UHFFFAOYSA-N
XLogP0.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yloxy-3-(methylamino)propan-2-ol?
The IUPAC name of 1-cyclohex-2-en-1-yloxy-3-(methylamino)propan-2-ol (CID 59563408) is 1-cyclohex-2-en-1-yloxy-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-cyclohex-2-en-1-yloxy-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-cyclohex-2-en-1-yloxy-3-(methylamino)propan-2-ol is CNCC(O)COC1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yloxy-3-(methylamino)propan-2-ol?
The InChIKey is KEULSOWSHQTPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-11-7-9(12)8-13-10-5-3-2-4-6-10/h3,5,9-12H,2,4,6-8H2,1H3.
What are the key properties of 1-cyclohex-2-en-1-yloxy-3-(methylamino)propan-2-ol?
1-cyclohex-2-en-1-yloxy-3-(methylamino)propan-2-ol has a molecular weight of 185.27 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yloxy-3-(methylamino)propan-2-ol is sourced from PubChem (CID 59563408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).