4-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol

C13H25NO — CID 79359601

IUPAC4-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCNCCC1=CCCCC1
InChIInChI=1S/C13H25NO/c1-13(2,15)9-11-14-10-8-12-6-4-3-5-7-12/h6,14-15H,3-5,7-11H2,1-2H3
InChIKeyGWACXJMPYRKDSF-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.63
Rot. Bonds6

About 4-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol

4-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol (PubChem CID 79359601) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol
PubChem CID79359601
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCNCCC1=CCCCC1
InChIInChI=1S/C13H25NO/c1-13(2,15)9-11-14-10-8-12-6-4-3-5-7-12/h6,14-15H,3-5,7-11H2,1-2H3
InChIKeyGWACXJMPYRKDSF-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.63
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 4-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol (CID 79359601) is 4-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol is CC(C)(O)CCNCCC1=CCCCC1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol?
The InChIKey is GWACXJMPYRKDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,15)9-11-14-10-8-12-6-4-3-5-7-12/h6,14-15H,3-5,7-11H2,1-2H3.
What are the key properties of 4-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol?
4-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 79359601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).