N-propan-2-yl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanimine oxide

C13H23NO — CID 166529723

IUPACN-propan-2-yl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanimine oxide
SMILESCC1=CC(C)C(C=[N+]([O-])C(C)C)C(C)C1
InChIInChI=1S/C13H23NO/c1-9(2)14(15)8-13-11(4)6-10(3)7-12(13)5/h6,8-9,11-13H,7H2,1-5H3
InChIKeyRMUAYPOKWJBYJA-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.21
Rot. Bonds2

About N-propan-2-yl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanimine oxide

N-propan-2-yl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanimine oxide (PubChem CID 166529723) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-propan-2-yl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanimine oxide.

Molecular Properties

Compound NameN-propan-2-yl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanimine oxide
PubChem CID166529723
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-propan-2-yl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanimine oxide
SMILESCC1=CC(C)C(C=[N+]([O-])C(C)C)C(C)C1
InChIInChI=1S/C13H23NO/c1-9(2)14(15)8-13-11(4)6-10(3)7-12(13)5/h6,8-9,11-13H,7H2,1-5H3
InChIKeyRMUAYPOKWJBYJA-UHFFFAOYSA-N
XLogP3.21
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanimine oxide?
The IUPAC name of N-propan-2-yl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanimine oxide (CID 166529723) is N-propan-2-yl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanimine oxide.
What is the SMILES notation for N-propan-2-yl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanimine oxide?
The canonical SMILES for N-propan-2-yl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanimine oxide is CC1=CC(C)C(C=[N+]([O-])C(C)C)C(C)C1.
What is the InChIKey of N-propan-2-yl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanimine oxide?
The InChIKey is RMUAYPOKWJBYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9(2)14(15)8-13-11(4)6-10(3)7-12(13)5/h6,8-9,11-13H,7H2,1-5H3.
What are the key properties of N-propan-2-yl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanimine oxide?
N-propan-2-yl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanimine oxide has a molecular weight of 209.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanimine oxide is sourced from PubChem (CID 166529723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).