N-[(Z)-2-(5-ethyl-2,5-dimethylcyclohexen-1-yl)ethenyl]methanimine

C13H21N — CID 88997204

IUPACN-[(Z)-2-(5-ethyl-2,5-dimethylcyclohexen-1-yl)ethenyl]methanimine
SMILESC=N/C=C\C1=C(C)CCC(C)(CC)C1
InChIInChI=1S/C13H21N/c1-5-13(3)8-6-11(2)12(10-13)7-9-14-4/h7,9H,4-6,8,10H2,1-3H3/b9-7-
InChIKeySMVGHTOMEZRCBQ-CLFYSBASSA-N
MW191.32 g/mol
LogP4.12
Rot. Bonds3

About N-[(Z)-2-(5-ethyl-2,5-dimethylcyclohexen-1-yl)ethenyl]methanimine

N-[(Z)-2-(5-ethyl-2,5-dimethylcyclohexen-1-yl)ethenyl]methanimine (PubChem CID 88997204) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-[(Z)-2-(5-ethyl-2,5-dimethylcyclohexen-1-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-(5-ethyl-2,5-dimethylcyclohexen-1-yl)ethenyl]methanimine
PubChem CID88997204
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-[(Z)-2-(5-ethyl-2,5-dimethylcyclohexen-1-yl)ethenyl]methanimine
SMILESC=N/C=C\C1=C(C)CCC(C)(CC)C1
InChIInChI=1S/C13H21N/c1-5-13(3)8-6-11(2)12(10-13)7-9-14-4/h7,9H,4-6,8,10H2,1-3H3/b9-7-
InChIKeySMVGHTOMEZRCBQ-CLFYSBASSA-N
XLogP4.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(5-ethyl-2,5-dimethylcyclohexen-1-yl)ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-(5-ethyl-2,5-dimethylcyclohexen-1-yl)ethenyl]methanimine (CID 88997204) is N-[(Z)-2-(5-ethyl-2,5-dimethylcyclohexen-1-yl)ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-(5-ethyl-2,5-dimethylcyclohexen-1-yl)ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-(5-ethyl-2,5-dimethylcyclohexen-1-yl)ethenyl]methanimine is C=N/C=C\C1=C(C)CCC(C)(CC)C1.
What is the InChIKey of N-[(Z)-2-(5-ethyl-2,5-dimethylcyclohexen-1-yl)ethenyl]methanimine?
The InChIKey is SMVGHTOMEZRCBQ-CLFYSBASSA-N. The full InChI is InChI=1S/C13H21N/c1-5-13(3)8-6-11(2)12(10-13)7-9-14-4/h7,9H,4-6,8,10H2,1-3H3/b9-7-.
What are the key properties of N-[(Z)-2-(5-ethyl-2,5-dimethylcyclohexen-1-yl)ethenyl]methanimine?
N-[(Z)-2-(5-ethyl-2,5-dimethylcyclohexen-1-yl)ethenyl]methanimine has a molecular weight of 191.32 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(5-ethyl-2,5-dimethylcyclohexen-1-yl)ethenyl]methanimine is sourced from PubChem (CID 88997204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).