3-amino-3-cyclohex-3-en-1-ylpropan-1-ol

C9H17NO — CID 55250623

IUPAC3-amino-3-cyclohex-3-en-1-ylpropan-1-ol
SMILESNC(CCO)C1CC=CCC1
InChIInChI=1S/C9H17NO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-2,8-9,11H,3-7,10H2
InChIKeyZUKIQGWTKFPJEE-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.05
Rot. Bonds3

About 3-amino-3-cyclohex-3-en-1-ylpropan-1-ol

3-amino-3-cyclohex-3-en-1-ylpropan-1-ol (PubChem CID 55250623) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-amino-3-cyclohex-3-en-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclohex-3-en-1-ylpropan-1-ol
PubChem CID55250623
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-amino-3-cyclohex-3-en-1-ylpropan-1-ol
SMILESNC(CCO)C1CC=CCC1
InChIInChI=1S/C9H17NO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-2,8-9,11H,3-7,10H2
InChIKeyZUKIQGWTKFPJEE-UHFFFAOYSA-N
XLogP1.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.05
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 3-amino-3-cyclohex-3-en-1-ylpropan-1-ol?
The IUPAC name of 3-amino-3-cyclohex-3-en-1-ylpropan-1-ol (CID 55250623) is 3-amino-3-cyclohex-3-en-1-ylpropan-1-ol.
What is the SMILES notation for 3-amino-3-cyclohex-3-en-1-ylpropan-1-ol?
The canonical SMILES for 3-amino-3-cyclohex-3-en-1-ylpropan-1-ol is NC(CCO)C1CC=CCC1.
What is the InChIKey of 3-amino-3-cyclohex-3-en-1-ylpropan-1-ol?
The InChIKey is ZUKIQGWTKFPJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-2,8-9,11H,3-7,10H2.
What are the key properties of 3-amino-3-cyclohex-3-en-1-ylpropan-1-ol?
3-amino-3-cyclohex-3-en-1-ylpropan-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclohex-3-en-1-ylpropan-1-ol is sourced from PubChem (CID 55250623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).