[(1S,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol

C8H15NO — CID 58168867

IUPAC[(1S,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol
SMILESCN[C@@H]1CC=CC[C@@H]1CO
InChIInChI=1S/C8H15NO/c1-9-8-5-3-2-4-7(8)6-10/h2-3,7-10H,4-6H2,1H3/t7-,8-/m1/s1
InChIKeyBEUIGEBQLLFIOT-HTQZYQBOSA-N
MW141.21 g/mol
LogP0.53
Rot. Bonds2

About [(1S,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol

[(1S,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol (PubChem CID 58168867) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(1S,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol
PubChem CID58168867
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(1S,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol
SMILESCN[C@@H]1CC=CC[C@@H]1CO
InChIInChI=1S/C8H15NO/c1-9-8-5-3-2-4-7(8)6-10/h2-3,7-10H,4-6H2,1H3/t7-,8-/m1/s1
InChIKeyBEUIGEBQLLFIOT-HTQZYQBOSA-N
XLogP0.53
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 ≤ 50.53
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,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol?
The IUPAC name of [(1S,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol (CID 58168867) is [(1S,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [(1S,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [(1S,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol is CN[C@@H]1CC=CC[C@@H]1CO.
What is the InChIKey of [(1S,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol?
The InChIKey is BEUIGEBQLLFIOT-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-8-5-3-2-4-7(8)6-10/h2-3,7-10H,4-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of [(1S,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol?
[(1S,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol has a molecular weight of 141.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6R)-6-(methylamino)cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 58168867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).