2-[but-2-enyl(cyclohexyl)amino]ethanol

C12H23NO — CID 76932277

IUPAC2-[but-2-enyl(cyclohexyl)amino]ethanol
SMILESCC=CCN(CCO)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-2-3-9-13(10-11-14)12-7-5-4-6-8-12/h2-3,12,14H,4-11H2,1H3
InChIKeyUQRVWLWTZQVRRP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

About 2-[but-2-enyl(cyclohexyl)amino]ethanol

2-[but-2-enyl(cyclohexyl)amino]ethanol (PubChem CID 76932277) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[but-2-enyl(cyclohexyl)amino]ethanol.

Molecular Properties

Compound Name2-[but-2-enyl(cyclohexyl)amino]ethanol
PubChem CID76932277
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[but-2-enyl(cyclohexyl)amino]ethanol
SMILESCC=CCN(CCO)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-2-3-9-13(10-11-14)12-7-5-4-6-8-12/h2-3,12,14H,4-11H2,1H3
InChIKeyUQRVWLWTZQVRRP-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
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 2-[but-2-enyl(cyclohexyl)amino]ethanol?
The IUPAC name of 2-[but-2-enyl(cyclohexyl)amino]ethanol (CID 76932277) is 2-[but-2-enyl(cyclohexyl)amino]ethanol.
What is the SMILES notation for 2-[but-2-enyl(cyclohexyl)amino]ethanol?
The canonical SMILES for 2-[but-2-enyl(cyclohexyl)amino]ethanol is CC=CCN(CCO)C1CCCCC1.
What is the InChIKey of 2-[but-2-enyl(cyclohexyl)amino]ethanol?
The InChIKey is UQRVWLWTZQVRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-9-13(10-11-14)12-7-5-4-6-8-12/h2-3,12,14H,4-11H2,1H3.
What are the key properties of 2-[but-2-enyl(cyclohexyl)amino]ethanol?
2-[but-2-enyl(cyclohexyl)amino]ethanol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[but-2-enyl(cyclohexyl)amino]ethanol is sourced from PubChem (CID 76932277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).