1-(3,6-dimethylcyclohex-2-en-1-yl)-1-hydroxy-N-methylmethanamine oxide

C10H19NO2 — CID 163446773

IUPAC1-(3,6-dimethylcyclohex-2-en-1-yl)-1-hydroxy-N-methylmethanamine oxide
SMILESCC1=CC(C(O)[NH+](C)[O-])C(C)CC1
InChIInChI=1S/C10H19NO2/c1-7-4-5-8(2)9(6-7)10(12)11(3)13/h6,8-12H,4-5H2,1-3H3
InChIKeyBDEFPYQBABLZQL-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.31
Rot. Bonds2

About 1-(3,6-dimethylcyclohex-2-en-1-yl)-1-hydroxy-N-methylmethanamine oxide

1-(3,6-dimethylcyclohex-2-en-1-yl)-1-hydroxy-N-methylmethanamine oxide (PubChem CID 163446773) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3,6-dimethylcyclohex-2-en-1-yl)-1-hydroxy-N-methylmethanamine oxide.

Molecular Properties

Compound Name1-(3,6-dimethylcyclohex-2-en-1-yl)-1-hydroxy-N-methylmethanamine oxide
PubChem CID163446773
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(3,6-dimethylcyclohex-2-en-1-yl)-1-hydroxy-N-methylmethanamine oxide
SMILESCC1=CC(C(O)[NH+](C)[O-])C(C)CC1
InChIInChI=1S/C10H19NO2/c1-7-4-5-8(2)9(6-7)10(12)11(3)13/h6,8-12H,4-5H2,1-3H3
InChIKeyBDEFPYQBABLZQL-UHFFFAOYSA-N
XLogP0.31
TPSA47.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[8-[6-[(Z)-10-amino-10-hydroxydec-1-enyl]-4,5-dihexylcyclohex-2-en-1-yl]octoxyamino]propyl-trimethylazanium
CID 58581943
3-[[(2Z)-2-[[5,6-dihexyl-2-[8-hydroxy-8-[3-(trimethylazaniumyl)propylamino]octyl]cyclohex-3-en-1-yl]methylidene]cyclooctyl]methoxyamino]propyl-trimethylazanium
CID 58823254
1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-2-(4-ethylcyclohexen-1-yl)ethanol
CID 68097861
(2-Ethyl-6-methyl-3-propylcyclohex-2-en-1-yl)-(methylamino)methanol
CID 141813499
Amino-(2,4,6-trimethylcyclohex-2-en-1-yl)methanol
CID 143624376
6-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]hexan-1-ol
CID 107849599
(3,6-Dimethylcyclohex-2-en-1-yl)-[methyl(oxido)amino]methanol
CID 163446774

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylcyclohex-2-en-1-yl)-1-hydroxy-N-methylmethanamine oxide?
The IUPAC name of 1-(3,6-dimethylcyclohex-2-en-1-yl)-1-hydroxy-N-methylmethanamine oxide (CID 163446773) is 1-(3,6-dimethylcyclohex-2-en-1-yl)-1-hydroxy-N-methylmethanamine oxide.
What is the SMILES notation for 1-(3,6-dimethylcyclohex-2-en-1-yl)-1-hydroxy-N-methylmethanamine oxide?
The canonical SMILES for 1-(3,6-dimethylcyclohex-2-en-1-yl)-1-hydroxy-N-methylmethanamine oxide is CC1=CC(C(O)[NH+](C)[O-])C(C)CC1.
What is the InChIKey of 1-(3,6-dimethylcyclohex-2-en-1-yl)-1-hydroxy-N-methylmethanamine oxide?
The InChIKey is BDEFPYQBABLZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-4-5-8(2)9(6-7)10(12)11(3)13/h6,8-12H,4-5H2,1-3H3.
What are the key properties of 1-(3,6-dimethylcyclohex-2-en-1-yl)-1-hydroxy-N-methylmethanamine oxide?
1-(3,6-dimethylcyclohex-2-en-1-yl)-1-hydroxy-N-methylmethanamine oxide has a molecular weight of 185.27 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylcyclohex-2-en-1-yl)-1-hydroxy-N-methylmethanamine oxide is sourced from PubChem (CID 163446773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).