N'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine

C14H22N2 — CID 101419683

IUPACN'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine
SMILESC1=CCC(/N=C/C=N/C2CCCCC2)CC1
InChIInChI=1S/C14H22N2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1,3,11-14H,2,4-10H2/b15-11+,16-12+
InChIKeyPLZWBZTUXVAUNG-JOBJLJCHSA-N
MW218.34 g/mol
LogP3.57
Rot. Bonds3

About N'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine

N'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine (PubChem CID 101419683) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine.

Molecular Properties

Compound NameN'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine
PubChem CID101419683
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine
SMILESC1=CCC(/N=C/C=N/C2CCCCC2)CC1
InChIInChI=1S/C14H22N2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1,3,11-14H,2,4-10H2/b15-11+,16-12+
InChIKeyPLZWBZTUXVAUNG-JOBJLJCHSA-N
XLogP3.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4a,5,8,8a-Tetrahydroquinoxaline
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N-cyclohexylcyclohex-2-en-1-imine
CID 66728093
2-Pentyl-2,3-dihydropyridine
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2,3,4,4a-Tetrahydro-1,5-naphthyridine
CID 68052703
2,4a,7,8-Tetrahydro-1,5-naphthyridine
CID 91263735
4a,5,8,8a-Tetrahydroquinoxaline;ethane
CID 91463393
2-(2,3,4,5-Tetrahydropyridin-2-yl)-2,5-dihydropyridine
CID 123495933
N-cyclohex-2-en-1-ylpropan-1-imine
CID 123986821
1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 140514520

Frequently Asked Questions

What is the IUPAC name of N'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine?
The IUPAC name of N'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine (CID 101419683) is N'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine.
What is the SMILES notation for N'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine?
The canonical SMILES for N'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine is C1=CCC(/N=C/C=N/C2CCCCC2)CC1.
What is the InChIKey of N'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine?
The InChIKey is PLZWBZTUXVAUNG-JOBJLJCHSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1,3,11-14H,2,4-10H2/b15-11+,16-12+.
What are the key properties of N'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine?
N'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine has a molecular weight of 218.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine is sourced from PubChem (CID 101419683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).