4-[2-[ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol

C11H21NO — CID 90916937

IUPAC4-[2-[ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol
SMILESCCN(C)CCC1C=CC(O)CC1
InChIInChI=1S/C11H21NO/c1-3-12(2)9-8-10-4-6-11(13)7-5-10/h4,6,10-11,13H,3,5,7-9H2,1-2H3
InChIKeyIOGCQUREZZRCRN-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.66
Rot. Bonds4

About 4-[2-[ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol

4-[2-[ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol (PubChem CID 90916937) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-[2-[ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-[2-[ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol
PubChem CID90916937
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-[2-[ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol
SMILESCCN(C)CCC1C=CC(O)CC1
InChIInChI=1S/C11H21NO/c1-3-12(2)9-8-10-4-6-11(13)7-5-10/h4,6,10-11,13H,3,5,7-9H2,1-2H3
InChIKeyIOGCQUREZZRCRN-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
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 4-[2-[ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol?
The IUPAC name of 4-[2-[ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol (CID 90916937) is 4-[2-[ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 4-[2-[ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol?
The canonical SMILES for 4-[2-[ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol is CCN(C)CCC1C=CC(O)CC1.
What is the InChIKey of 4-[2-[ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol?
The InChIKey is IOGCQUREZZRCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-12(2)9-8-10-4-6-11(13)7-5-10/h4,6,10-11,13H,3,5,7-9H2,1-2H3.
What are the key properties of 4-[2-[ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol?
4-[2-[ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 90916937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).