2-amino-4-ethenylcyclohexan-1-ol

C8H15NO — CID 13223992

IUPAC2-amino-4-ethenylcyclohexan-1-ol
SMILESC=CC1CCC(O)C(N)C1
InChIInChI=1S/C8H15NO/c1-2-6-3-4-8(10)7(9)5-6/h2,6-8,10H,1,3-5,9H2
InChIKeyPPMDYQBZVJYAGO-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.66
Rot. Bonds1

About 2-amino-4-ethenylcyclohexan-1-ol

2-amino-4-ethenylcyclohexan-1-ol (PubChem CID 13223992) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-amino-4-ethenylcyclohexan-1-ol.

Molecular Properties

Compound Name2-amino-4-ethenylcyclohexan-1-ol
PubChem CID13223992
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-amino-4-ethenylcyclohexan-1-ol
SMILESC=CC1CCC(O)C(N)C1
InChIInChI=1S/C8H15NO/c1-2-6-3-4-8(10)7(9)5-6/h2,6-8,10H,1,3-5,9H2
InChIKeyPPMDYQBZVJYAGO-UHFFFAOYSA-N
XLogP0.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.66
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-4-ethenylcyclohexan-1-ol?
The IUPAC name of 2-amino-4-ethenylcyclohexan-1-ol (CID 13223992) is 2-amino-4-ethenylcyclohexan-1-ol.
What is the SMILES notation for 2-amino-4-ethenylcyclohexan-1-ol?
The canonical SMILES for 2-amino-4-ethenylcyclohexan-1-ol is C=CC1CCC(O)C(N)C1.
What is the InChIKey of 2-amino-4-ethenylcyclohexan-1-ol?
The InChIKey is PPMDYQBZVJYAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-6-3-4-8(10)7(9)5-6/h2,6-8,10H,1,3-5,9H2.
What are the key properties of 2-amino-4-ethenylcyclohexan-1-ol?
2-amino-4-ethenylcyclohexan-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethenylcyclohexan-1-ol is sourced from PubChem (CID 13223992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).