2-(cyclohexen-1-ylmethylamino)ethanol

C9H17NO — CID 22951276

IUPAC2-(cyclohexen-1-ylmethylamino)ethanol
SMILESOCCNCC1=CCCCC1
InChIInChI=1S/C9H17NO/c11-7-6-10-8-9-4-2-1-3-5-9/h4,10-11H,1-3,5-8H2
InChIKeyDDAOATAOQUCYQM-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds4

About 2-(cyclohexen-1-ylmethylamino)ethanol

2-(cyclohexen-1-ylmethylamino)ethanol (PubChem CID 22951276) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(cyclohexen-1-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(cyclohexen-1-ylmethylamino)ethanol
PubChem CID22951276
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(cyclohexen-1-ylmethylamino)ethanol
SMILESOCCNCC1=CCCCC1
InChIInChI=1S/C9H17NO/c11-7-6-10-8-9-4-2-1-3-5-9/h4,10-11H,1-3,5-8H2
InChIKeyDDAOATAOQUCYQM-UHFFFAOYSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-ylmethylamino)ethanol?
The IUPAC name of 2-(cyclohexen-1-ylmethylamino)ethanol (CID 22951276) is 2-(cyclohexen-1-ylmethylamino)ethanol.
What is the SMILES notation for 2-(cyclohexen-1-ylmethylamino)ethanol?
The canonical SMILES for 2-(cyclohexen-1-ylmethylamino)ethanol is OCCNCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-ylmethylamino)ethanol?
The InChIKey is DDAOATAOQUCYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c11-7-6-10-8-9-4-2-1-3-5-9/h4,10-11H,1-3,5-8H2.
What are the key properties of 2-(cyclohexen-1-ylmethylamino)ethanol?
2-(cyclohexen-1-ylmethylamino)ethanol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-ylmethylamino)ethanol is sourced from PubChem (CID 22951276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).