(1R,6R)-6-[(dimethylamino)methyl]cyclohex-2-en-1-ol

C9H17NO — CID 129303279

IUPAC(1R,6R)-6-[(dimethylamino)methyl]cyclohex-2-en-1-ol
SMILESCN(C)C[C@H]1CCC=C[C@H]1O
InChIInChI=1S/C9H17NO/c1-10(2)7-8-5-3-4-6-9(8)11/h4,6,8-9,11H,3,5,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyRSEMJSFVUDKPKA-RKDXNWHRSA-N
MW155.24 g/mol
LogP0.88
Rot. Bonds2

About (1R,6R)-6-[(dimethylamino)methyl]cyclohex-2-en-1-ol

(1R,6R)-6-[(dimethylamino)methyl]cyclohex-2-en-1-ol (PubChem CID 129303279) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1R,6R)-6-[(dimethylamino)methyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,6R)-6-[(dimethylamino)methyl]cyclohex-2-en-1-ol
PubChem CID129303279
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1R,6R)-6-[(dimethylamino)methyl]cyclohex-2-en-1-ol
SMILESCN(C)C[C@H]1CCC=C[C@H]1O
InChIInChI=1S/C9H17NO/c1-10(2)7-8-5-3-4-6-9(8)11/h4,6,8-9,11H,3,5,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyRSEMJSFVUDKPKA-RKDXNWHRSA-N
XLogP0.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
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 (1R,6R)-6-[(dimethylamino)methyl]cyclohex-2-en-1-ol?
The IUPAC name of (1R,6R)-6-[(dimethylamino)methyl]cyclohex-2-en-1-ol (CID 129303279) is (1R,6R)-6-[(dimethylamino)methyl]cyclohex-2-en-1-ol.
What is the SMILES notation for (1R,6R)-6-[(dimethylamino)methyl]cyclohex-2-en-1-ol?
The canonical SMILES for (1R,6R)-6-[(dimethylamino)methyl]cyclohex-2-en-1-ol is CN(C)C[C@H]1CCC=C[C@H]1O.
What is the InChIKey of (1R,6R)-6-[(dimethylamino)methyl]cyclohex-2-en-1-ol?
The InChIKey is RSEMJSFVUDKPKA-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17NO/c1-10(2)7-8-5-3-4-6-9(8)11/h4,6,8-9,11H,3,5,7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (1R,6R)-6-[(dimethylamino)methyl]cyclohex-2-en-1-ol?
(1R,6R)-6-[(dimethylamino)methyl]cyclohex-2-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-[(dimethylamino)methyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 129303279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).