2-[4-(2-aminoethyl)cyclohex-3-en-1-yl]ethanol

C10H19NO — CID 155084668

IUPAC2-[4-(2-aminoethyl)cyclohex-3-en-1-yl]ethanol
SMILESNCCC1=CCC(CCO)CC1
InChIInChI=1S/C10H19NO/c11-7-5-9-1-3-10(4-2-9)6-8-12/h1,10,12H,2-8,11H2
InChIKeyWJKCVFOQXOQCGY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.44
Rot. Bonds4

About 2-[4-(2-aminoethyl)cyclohex-3-en-1-yl]ethanol

2-[4-(2-aminoethyl)cyclohex-3-en-1-yl]ethanol (PubChem CID 155084668) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)cyclohex-3-en-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)cyclohex-3-en-1-yl]ethanol
PubChem CID155084668
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[4-(2-aminoethyl)cyclohex-3-en-1-yl]ethanol
SMILESNCCC1=CCC(CCO)CC1
InChIInChI=1S/C10H19NO/c11-7-5-9-1-3-10(4-2-9)6-8-12/h1,10,12H,2-8,11H2
InChIKeyWJKCVFOQXOQCGY-UHFFFAOYSA-N
XLogP1.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.44
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-(2-aminoethyl)cyclohex-3-en-1-yl]ethanol?
The IUPAC name of 2-[4-(2-aminoethyl)cyclohex-3-en-1-yl]ethanol (CID 155084668) is 2-[4-(2-aminoethyl)cyclohex-3-en-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-aminoethyl)cyclohex-3-en-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-aminoethyl)cyclohex-3-en-1-yl]ethanol is NCCC1=CCC(CCO)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)cyclohex-3-en-1-yl]ethanol?
The InChIKey is WJKCVFOQXOQCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c11-7-5-9-1-3-10(4-2-9)6-8-12/h1,10,12H,2-8,11H2.
What are the key properties of 2-[4-(2-aminoethyl)cyclohex-3-en-1-yl]ethanol?
2-[4-(2-aminoethyl)cyclohex-3-en-1-yl]ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)cyclohex-3-en-1-yl]ethanol is sourced from PubChem (CID 155084668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).