2-[(4-tert-butylcyclohex-3-en-1-yl)amino]ethanol

C12H23NO — CID 167068192

IUPAC2-[(4-tert-butylcyclohex-3-en-1-yl)amino]ethanol
SMILESCC(C)(C)C1=CCC(NCCO)CC1
InChIInChI=1S/C12H23NO/c1-12(2,3)10-4-6-11(7-5-10)13-8-9-14/h4,11,13-14H,5-9H2,1-3H3
InChIKeyGJURZLZQYLCMNX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.09
Rot. Bonds3

About 2-[(4-tert-butylcyclohex-3-en-1-yl)amino]ethanol

2-[(4-tert-butylcyclohex-3-en-1-yl)amino]ethanol (PubChem CID 167068192) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[(4-tert-butylcyclohex-3-en-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-tert-butylcyclohex-3-en-1-yl)amino]ethanol
PubChem CID167068192
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[(4-tert-butylcyclohex-3-en-1-yl)amino]ethanol
SMILESCC(C)(C)C1=CCC(NCCO)CC1
InChIInChI=1S/C12H23NO/c1-12(2,3)10-4-6-11(7-5-10)13-8-9-14/h4,11,13-14H,5-9H2,1-3H3
InChIKeyGJURZLZQYLCMNX-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.09
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-[(4-tert-butylcyclohex-3-en-1-yl)amino]ethanol?
The IUPAC name of 2-[(4-tert-butylcyclohex-3-en-1-yl)amino]ethanol (CID 167068192) is 2-[(4-tert-butylcyclohex-3-en-1-yl)amino]ethanol.
What is the SMILES notation for 2-[(4-tert-butylcyclohex-3-en-1-yl)amino]ethanol?
The canonical SMILES for 2-[(4-tert-butylcyclohex-3-en-1-yl)amino]ethanol is CC(C)(C)C1=CCC(NCCO)CC1.
What is the InChIKey of 2-[(4-tert-butylcyclohex-3-en-1-yl)amino]ethanol?
The InChIKey is GJURZLZQYLCMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)10-4-6-11(7-5-10)13-8-9-14/h4,11,13-14H,5-9H2,1-3H3.
What are the key properties of 2-[(4-tert-butylcyclohex-3-en-1-yl)amino]ethanol?
2-[(4-tert-butylcyclohex-3-en-1-yl)amino]ethanol has a molecular weight of 197.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylcyclohex-3-en-1-yl)amino]ethanol is sourced from PubChem (CID 167068192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).