1-(ethoxyamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol

C13H25NO3 — CID 60702646

IUPAC1-(ethoxyamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
SMILESCCONCC(O)COCC1CC=CCC1C
InChIInChI=1S/C13H25NO3/c1-3-17-14-8-13(15)10-16-9-12-7-5-4-6-11(12)2/h4-5,11-15H,3,6-10H2,1-2H3
InChIKeyFWGLQYOGXBNGCO-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.51
Rot. Bonds8

About 1-(ethoxyamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol

1-(ethoxyamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol (PubChem CID 60702646) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(ethoxyamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-(ethoxyamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
PubChem CID60702646
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-(ethoxyamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
SMILESCCONCC(O)COCC1CC=CCC1C
InChIInChI=1S/C13H25NO3/c1-3-17-14-8-13(15)10-16-9-12-7-5-4-6-11(12)2/h4-5,11-15H,3,6-10H2,1-2H3
InChIKeyFWGLQYOGXBNGCO-UHFFFAOYSA-N
XLogP1.51
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxyamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol?
The IUPAC name of 1-(ethoxyamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol (CID 60702646) is 1-(ethoxyamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol.
What is the SMILES notation for 1-(ethoxyamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol?
The canonical SMILES for 1-(ethoxyamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol is CCONCC(O)COCC1CC=CCC1C.
What is the InChIKey of 1-(ethoxyamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol?
The InChIKey is FWGLQYOGXBNGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-17-14-8-13(15)10-16-9-12-7-5-4-6-11(12)2/h4-5,11-15H,3,6-10H2,1-2H3.
What are the key properties of 1-(ethoxyamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol?
1-(ethoxyamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxyamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol is sourced from PubChem (CID 60702646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).