2-[(4-propan-2-ylcyclohex-2-en-1-yl)amino]ethanol

C11H21NO — CID 166764496

IUPAC2-[(4-propan-2-ylcyclohex-2-en-1-yl)amino]ethanol
SMILESCC(C)C1C=CC(NCCO)CC1
InChIInChI=1S/C11H21NO/c1-9(2)10-3-5-11(6-4-10)12-7-8-13/h3,5,9-13H,4,6-8H2,1-2H3
InChIKeyQMUDQJZRLMKLDC-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.56
Rot. Bonds4

About 2-[(4-propan-2-ylcyclohex-2-en-1-yl)amino]ethanol

2-[(4-propan-2-ylcyclohex-2-en-1-yl)amino]ethanol (PubChem CID 166764496) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-[(4-propan-2-ylcyclohex-2-en-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-propan-2-ylcyclohex-2-en-1-yl)amino]ethanol
PubChem CID166764496
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-[(4-propan-2-ylcyclohex-2-en-1-yl)amino]ethanol
SMILESCC(C)C1C=CC(NCCO)CC1
InChIInChI=1S/C11H21NO/c1-9(2)10-3-5-11(6-4-10)12-7-8-13/h3,5,9-13H,4,6-8H2,1-2H3
InChIKeyQMUDQJZRLMKLDC-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.56
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-propan-2-ylcyclohex-2-en-1-yl)amino]ethanol?
The IUPAC name of 2-[(4-propan-2-ylcyclohex-2-en-1-yl)amino]ethanol (CID 166764496) is 2-[(4-propan-2-ylcyclohex-2-en-1-yl)amino]ethanol.
What is the SMILES notation for 2-[(4-propan-2-ylcyclohex-2-en-1-yl)amino]ethanol?
The canonical SMILES for 2-[(4-propan-2-ylcyclohex-2-en-1-yl)amino]ethanol is CC(C)C1C=CC(NCCO)CC1.
What is the InChIKey of 2-[(4-propan-2-ylcyclohex-2-en-1-yl)amino]ethanol?
The InChIKey is QMUDQJZRLMKLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)10-3-5-11(6-4-10)12-7-8-13/h3,5,9-13H,4,6-8H2,1-2H3.
What are the key properties of 2-[(4-propan-2-ylcyclohex-2-en-1-yl)amino]ethanol?
2-[(4-propan-2-ylcyclohex-2-en-1-yl)amino]ethanol has a molecular weight of 183.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylcyclohex-2-en-1-yl)amino]ethanol is sourced from PubChem (CID 166764496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).