3-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol

C13H25NO — CID 65333232

IUPAC3-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol
SMILESCC(NCCC1=CCCCC1)C(C)(C)O
InChIInChI=1S/C13H25NO/c1-11(13(2,3)15)14-10-9-12-7-5-4-6-8-12/h7,11,14-15H,4-6,8-10H2,1-3H3
InChIKeyKRASWCXDBBABLZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.63
Rot. Bonds5

About 3-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol

3-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol (PubChem CID 65333232) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol
PubChem CID65333232
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol
SMILESCC(NCCC1=CCCCC1)C(C)(C)O
InChIInChI=1S/C13H25NO/c1-11(13(2,3)15)14-10-9-12-7-5-4-6-8-12/h7,11,14-15H,4-6,8-10H2,1-3H3
InChIKeyKRASWCXDBBABLZ-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol (CID 65333232) is 3-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol is CC(NCCC1=CCCCC1)C(C)(C)O.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol?
The InChIKey is KRASWCXDBBABLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(13(2,3)15)14-10-9-12-7-5-4-6-8-12/h7,11,14-15H,4-6,8-10H2,1-3H3.
What are the key properties of 3-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol?
3-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 65333232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).