N-(cyclohex-2-en-1-ylideneamino)-3,5-dimethylcyclohex-2-en-1-imine

C14H20N2 — CID 70518404

IUPACN-(cyclohex-2-en-1-ylideneamino)-3,5-dimethylcyclohex-2-en-1-imine
SMILESCC1=CC(=NN=C2C=CCCC2)CC(C)C1
InChIInChI=1S/C14H20N2/c1-11-8-12(2)10-14(9-11)16-15-13-6-4-3-5-7-13/h4,6,9,12H,3,5,7-8,10H2,1-2H3
InChIKeyMNRMUDXCAHHBAB-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.90
Rot. Bonds1

About N-(cyclohex-2-en-1-ylideneamino)-3,5-dimethylcyclohex-2-en-1-imine

N-(cyclohex-2-en-1-ylideneamino)-3,5-dimethylcyclohex-2-en-1-imine (PubChem CID 70518404) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-(cyclohex-2-en-1-ylideneamino)-3,5-dimethylcyclohex-2-en-1-imine.

Molecular Properties

Compound NameN-(cyclohex-2-en-1-ylideneamino)-3,5-dimethylcyclohex-2-en-1-imine
PubChem CID70518404
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-(cyclohex-2-en-1-ylideneamino)-3,5-dimethylcyclohex-2-en-1-imine
SMILESCC1=CC(=NN=C2C=CCCC2)CC(C)C1
InChIInChI=1S/C14H20N2/c1-11-8-12(2)10-14(9-11)16-15-13-6-4-3-5-7-13/h4,6,9,12H,3,5,7-8,10H2,1-2H3
InChIKeyMNRMUDXCAHHBAB-UHFFFAOYSA-N
XLogP3.90
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.90
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-2-en-1-ylideneamino)-3,5-dimethylcyclohex-2-en-1-imine?
The IUPAC name of N-(cyclohex-2-en-1-ylideneamino)-3,5-dimethylcyclohex-2-en-1-imine (CID 70518404) is N-(cyclohex-2-en-1-ylideneamino)-3,5-dimethylcyclohex-2-en-1-imine.
What is the SMILES notation for N-(cyclohex-2-en-1-ylideneamino)-3,5-dimethylcyclohex-2-en-1-imine?
The canonical SMILES for N-(cyclohex-2-en-1-ylideneamino)-3,5-dimethylcyclohex-2-en-1-imine is CC1=CC(=NN=C2C=CCCC2)CC(C)C1.
What is the InChIKey of N-(cyclohex-2-en-1-ylideneamino)-3,5-dimethylcyclohex-2-en-1-imine?
The InChIKey is MNRMUDXCAHHBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-8-12(2)10-14(9-11)16-15-13-6-4-3-5-7-13/h4,6,9,12H,3,5,7-8,10H2,1-2H3.
What are the key properties of N-(cyclohex-2-en-1-ylideneamino)-3,5-dimethylcyclohex-2-en-1-imine?
N-(cyclohex-2-en-1-ylideneamino)-3,5-dimethylcyclohex-2-en-1-imine has a molecular weight of 216.33 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-2-en-1-ylideneamino)-3,5-dimethylcyclohex-2-en-1-imine is sourced from PubChem (CID 70518404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).