[(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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Related Compounds

2-Amino-2-(cyclohex-3-en-1-yl)ethan-1-ol
CID 61056225
2-(Cyclohex-3-en-1-ylmethylamino)-2-methylpentan-1-ol
CID 75387507
[1-(1-Amino-2-methylpropyl)cyclopent-3-en-1-yl]methanol
CID 122154864
(2S)-3-(4-fluorocyclohexa-2,4-dien-1-yl)-2-(methylamino)propan-1-ol
CID 70320951
Rel-((1S,6S)-6-aminocyclohex-3-en-1-yl)methanol
CID 7157088
[(1S,6R)-6-aminocyclohex-3-en-1-yl]methanol
CID 13460063
(6-Aminocyclohex-3-en-1-yl)methanol
CID 13460065
[(1S)-4-(methylamino)cyclopent-2-en-1-yl]methanol
CID 59891074
2-(2-Cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol
CID 69309809
2-Azabicyclo[2.2.2]oct-7-en-6-ylmethanol
CID 76225426
1-(Cyclohex-3-en-1-yl)-2-(methylamino)ethan-1-ol
CID 84013562
(Cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol
CID 89017600

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).