(3,6-dimethylcyclohex-2-en-1-yl)-[methyl(oxido)amino]methanol

C10H18NO2- — CID 163446774

IUPAC(3,6-dimethylcyclohex-2-en-1-yl)-[methyl(oxido)amino]methanol
SMILESCC1=CC(C(O)N(C)[O-])C(C)CC1
InChIInChI=1S/C10H18NO2/c1-7-4-5-8(2)9(6-7)10(12)11(3)13/h6,8-10,12H,4-5H2,1-3H3/q-1
InChIKeyPFDRDKHUVKKETO-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.73
Rot. Bonds2

About (3,6-dimethylcyclohex-2-en-1-yl)-[methyl(oxido)amino]methanol

(3,6-dimethylcyclohex-2-en-1-yl)-[methyl(oxido)amino]methanol (PubChem CID 163446774) has the molecular formula C10H18NO2- and a molecular weight of 184.26 g/mol. Its IUPAC name is (3,6-dimethylcyclohex-2-en-1-yl)-[methyl(oxido)amino]methanol.

Molecular Properties

Compound Name(3,6-dimethylcyclohex-2-en-1-yl)-[methyl(oxido)amino]methanol
PubChem CID163446774
Molecular FormulaC10H18NO2-
Molecular Weight184.26 g/mol
Exact Mass184.13
IUPAC Name(3,6-dimethylcyclohex-2-en-1-yl)-[methyl(oxido)amino]methanol
SMILESCC1=CC(C(O)N(C)[O-])C(C)CC1
InChIInChI=1S/C10H18NO2/c1-7-4-5-8(2)9(6-7)10(12)11(3)13/h6,8-10,12H,4-5H2,1-3H3/q-1
InChIKeyPFDRDKHUVKKETO-UHFFFAOYSA-N
XLogP1.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(3,6-dimethylcyclohex-2-en-1-yl)-1-hydroxy-N-methylmethanamine oxide
CID 163446773

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethylcyclohex-2-en-1-yl)-[methyl(oxido)amino]methanol?
The IUPAC name of (3,6-dimethylcyclohex-2-en-1-yl)-[methyl(oxido)amino]methanol (CID 163446774) is (3,6-dimethylcyclohex-2-en-1-yl)-[methyl(oxido)amino]methanol.
What is the SMILES notation for (3,6-dimethylcyclohex-2-en-1-yl)-[methyl(oxido)amino]methanol?
The canonical SMILES for (3,6-dimethylcyclohex-2-en-1-yl)-[methyl(oxido)amino]methanol is CC1=CC(C(O)N(C)[O-])C(C)CC1.
What is the InChIKey of (3,6-dimethylcyclohex-2-en-1-yl)-[methyl(oxido)amino]methanol?
The InChIKey is PFDRDKHUVKKETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO2/c1-7-4-5-8(2)9(6-7)10(12)11(3)13/h6,8-10,12H,4-5H2,1-3H3/q-1.
What are the key properties of (3,6-dimethylcyclohex-2-en-1-yl)-[methyl(oxido)amino]methanol?
(3,6-dimethylcyclohex-2-en-1-yl)-[methyl(oxido)amino]methanol has a molecular weight of 184.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethylcyclohex-2-en-1-yl)-[methyl(oxido)amino]methanol is sourced from PubChem (CID 163446774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).