2-cyclohex-3-en-1-yl-2-(methylamino)ethanol

C9H17NO — CID 61055522

IUPAC2-cyclohex-3-en-1-yl-2-(methylamino)ethanol
SMILESCNC(CO)C1CC=CCC1
InChIInChI=1S/C9H17NO/c1-10-9(7-11)8-5-3-2-4-6-8/h2-3,8-11H,4-7H2,1H3
InChIKeyLBCRAGJUFAPTBS-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.92
Rot. Bonds3

About 2-cyclohex-3-en-1-yl-2-(methylamino)ethanol

2-cyclohex-3-en-1-yl-2-(methylamino)ethanol (PubChem CID 61055522) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-2-(methylamino)ethanol.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-2-(methylamino)ethanol
PubChem CID61055522
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-cyclohex-3-en-1-yl-2-(methylamino)ethanol
SMILESCNC(CO)C1CC=CCC1
InChIInChI=1S/C9H17NO/c1-10-9(7-11)8-5-3-2-4-6-8/h2-3,8-11H,4-7H2,1H3
InChIKeyLBCRAGJUFAPTBS-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.92
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-(methylamino)ethanol?
The IUPAC name of 2-cyclohex-3-en-1-yl-2-(methylamino)ethanol (CID 61055522) is 2-cyclohex-3-en-1-yl-2-(methylamino)ethanol.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-2-(methylamino)ethanol?
The canonical SMILES for 2-cyclohex-3-en-1-yl-2-(methylamino)ethanol is CNC(CO)C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-2-(methylamino)ethanol?
The InChIKey is LBCRAGJUFAPTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-10-9(7-11)8-5-3-2-4-6-8/h2-3,8-11H,4-7H2,1H3.
What are the key properties of 2-cyclohex-3-en-1-yl-2-(methylamino)ethanol?
2-cyclohex-3-en-1-yl-2-(methylamino)ethanol has a molecular weight of 155.24 g/mol, XLogP of 0.92, 3 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-(methylamino)ethanol is sourced from PubChem (CID 61055522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).