N-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine

C11H19NO — CID 54537345

IUPACN-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine
SMILESCON=CC1=C(C)CCCC1(C)C
InChIInChI=1S/C11H19NO/c1-9-6-5-7-11(2,3)10(9)8-12-13-4/h8H,5-7H2,1-4H3
InChIKeyZASBUVPDSRELIV-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.15
Rot. Bonds2

About N-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine

N-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine (PubChem CID 54537345) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine.

Molecular Properties

Compound NameN-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine
PubChem CID54537345
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine
SMILESCON=CC1=C(C)CCCC1(C)C
InChIInChI=1S/C11H19NO/c1-9-6-5-7-11(2,3)10(9)8-12-13-4/h8H,5-7H2,1-4H3
InChIKeyZASBUVPDSRELIV-UHFFFAOYSA-N
XLogP3.15
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6,6-tri((113C)methyl)(1,2,3,4,5,6-13C6)cyclohexene-1-carbaldehyde
CID 11228964
N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine
CID 57117640
(E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide
CID 10561866
(1E,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
CID 86310428
3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol
CID 590095
(2E,4E,6E,8E)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
CID 15517576
(Z,2S)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
CID 76968694
4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 77238031
(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoic acid
CID 5383969
2-[(1E,3E)-5-methoxy-3-methylpenta-1,3-dienyl]-1,3,3-trimethylcyclohexene
CID 10331613
1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
CID 90964728
carbon monoxide;iron;(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 11759358

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine?
The IUPAC name of N-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine (CID 54537345) is N-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine.
What is the SMILES notation for N-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine?
The canonical SMILES for N-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine is CON=CC1=C(C)CCCC1(C)C.
What is the InChIKey of N-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine?
The InChIKey is ZASBUVPDSRELIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-6-5-7-11(2,3)10(9)8-12-13-4/h8H,5-7H2,1-4H3.
What are the key properties of N-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine?
N-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine has a molecular weight of 181.28 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine is sourced from PubChem (CID 54537345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).