2-cyclohex-3-en-1-yl-2-(propan-2-ylamino)ethanol

C11H21NO — CID 61047997

IUPAC2-cyclohex-3-en-1-yl-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC(CO)C1CC=CCC1
InChIInChI=1S/C11H21NO/c1-9(2)12-11(8-13)10-6-4-3-5-7-10/h3-4,9-13H,5-8H2,1-2H3
InChIKeyWUVXKUHTKQBJFO-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.70
Rot. Bonds4

About 2-cyclohex-3-en-1-yl-2-(propan-2-ylamino)ethanol

2-cyclohex-3-en-1-yl-2-(propan-2-ylamino)ethanol (PubChem CID 61047997) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-2-(propan-2-ylamino)ethanol
PubChem CID61047997
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name2-cyclohex-3-en-1-yl-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC(CO)C1CC=CCC1
InChIInChI=1S/C11H21NO/c1-9(2)12-11(8-13)10-6-4-3-5-7-10/h3-4,9-13H,5-8H2,1-2H3
InChIKeyWUVXKUHTKQBJFO-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-cyclohex-3-en-1-yl-2-(propan-2-ylamino)ethanol?
The IUPAC name of 2-cyclohex-3-en-1-yl-2-(propan-2-ylamino)ethanol (CID 61047997) is 2-cyclohex-3-en-1-yl-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 2-cyclohex-3-en-1-yl-2-(propan-2-ylamino)ethanol is CC(C)NC(CO)C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-2-(propan-2-ylamino)ethanol?
The InChIKey is WUVXKUHTKQBJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)12-11(8-13)10-6-4-3-5-7-10/h3-4,9-13H,5-8H2,1-2H3.
What are the key properties of 2-cyclohex-3-en-1-yl-2-(propan-2-ylamino)ethanol?
2-cyclohex-3-en-1-yl-2-(propan-2-ylamino)ethanol has a molecular weight of 183.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 61047997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).