(1S,2R)-2-(ethylamino)cyclohex-3-en-1-ol

C8H15NO — CID 11332522

IUPAC(1S,2R)-2-(ethylamino)cyclohex-3-en-1-ol
SMILESCCN[C@@H]1C=CCC[C@@H]1O
InChIInChI=1S/C8H15NO/c1-2-9-7-5-3-4-6-8(7)10/h3,5,7-10H,2,4,6H2,1H3/t7-,8+/m1/s1
InChIKeyZCFCSGBSKSJGIX-SFYZADRCSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds2

About (1S,2R)-2-(ethylamino)cyclohex-3-en-1-ol

(1S,2R)-2-(ethylamino)cyclohex-3-en-1-ol (PubChem CID 11332522) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (1S,2R)-2-(ethylamino)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(ethylamino)cyclohex-3-en-1-ol
PubChem CID11332522
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(1S,2R)-2-(ethylamino)cyclohex-3-en-1-ol
SMILESCCN[C@@H]1C=CCC[C@@H]1O
InChIInChI=1S/C8H15NO/c1-2-9-7-5-3-4-6-8(7)10/h3,5,7-10H,2,4,6H2,1H3/t7-,8+/m1/s1
InChIKeyZCFCSGBSKSJGIX-SFYZADRCSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.68
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 (1S,2R)-2-(ethylamino)cyclohex-3-en-1-ol?
The IUPAC name of (1S,2R)-2-(ethylamino)cyclohex-3-en-1-ol (CID 11332522) is (1S,2R)-2-(ethylamino)cyclohex-3-en-1-ol.
What is the SMILES notation for (1S,2R)-2-(ethylamino)cyclohex-3-en-1-ol?
The canonical SMILES for (1S,2R)-2-(ethylamino)cyclohex-3-en-1-ol is CCN[C@@H]1C=CCC[C@@H]1O.
What is the InChIKey of (1S,2R)-2-(ethylamino)cyclohex-3-en-1-ol?
The InChIKey is ZCFCSGBSKSJGIX-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-9-7-5-3-4-6-8(7)10/h3,5,7-10H,2,4,6H2,1H3/t7-,8+/m1/s1.
What are the key properties of (1S,2R)-2-(ethylamino)cyclohex-3-en-1-ol?
(1S,2R)-2-(ethylamino)cyclohex-3-en-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(ethylamino)cyclohex-3-en-1-ol is sourced from PubChem (CID 11332522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).