2-amino-1-cyclohex-3-en-1-ylethanol;hydrochloride

C8H16ClNO — CID 90677520

IUPAC2-amino-1-cyclohex-3-en-1-ylethanol;hydrochloride
SMILESCl.NCC(O)C1CC=CCC1
InChIInChI=1S/C8H15NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-2,7-8,10H,3-6,9H2;1H
InChIKeyJQLLCGNNNPBXRE-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.08
Rot. Bonds2

About 2-amino-1-cyclohex-3-en-1-ylethanol;hydrochloride

2-amino-1-cyclohex-3-en-1-ylethanol;hydrochloride (PubChem CID 90677520) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 2-amino-1-cyclohex-3-en-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-cyclohex-3-en-1-ylethanol;hydrochloride
PubChem CID90677520
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name2-amino-1-cyclohex-3-en-1-ylethanol;hydrochloride
SMILESCl.NCC(O)C1CC=CCC1
InChIInChI=1S/C8H15NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-2,7-8,10H,3-6,9H2;1H
InChIKeyJQLLCGNNNPBXRE-UHFFFAOYSA-N
XLogP1.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.08
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-amino-1-cyclohex-3-en-1-ylethanol;hydrochloride?
The IUPAC name of 2-amino-1-cyclohex-3-en-1-ylethanol;hydrochloride (CID 90677520) is 2-amino-1-cyclohex-3-en-1-ylethanol;hydrochloride.
What is the SMILES notation for 2-amino-1-cyclohex-3-en-1-ylethanol;hydrochloride?
The canonical SMILES for 2-amino-1-cyclohex-3-en-1-ylethanol;hydrochloride is Cl.NCC(O)C1CC=CCC1.
What is the InChIKey of 2-amino-1-cyclohex-3-en-1-ylethanol;hydrochloride?
The InChIKey is JQLLCGNNNPBXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-2,7-8,10H,3-6,9H2;1H.
What are the key properties of 2-amino-1-cyclohex-3-en-1-ylethanol;hydrochloride?
2-amino-1-cyclohex-3-en-1-ylethanol;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclohex-3-en-1-ylethanol;hydrochloride is sourced from PubChem (CID 90677520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).