N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine

C22H35N3 — CID 135142655

IUPACN-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine
SMILESC=N/C=c1/nc(CC2CC(C)CC(C)C2)n(C)/c1=C(\C=C/C)C(C)C
InChIInChI=1S/C22H35N3/c1-8-9-19(15(2)3)22-20(14-23-6)24-21(25(22)7)13-18-11-16(4)10-17(5)12-18/h8-9,14-18H,6,10-13H2,1-5,7H3/b9-8-,20-14+,22-19+
InChIKeyJOBGGURFHRJSCD-YPFXFCQUSA-N
MW341.54 g/mol
LogP3.86
Rot. Bonds5

About N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine

N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine (PubChem CID 135142655) has the molecular formula C22H35N3 and a molecular weight of 341.54 g/mol. Its IUPAC name is N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine.

Molecular Properties

Compound NameN-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine
PubChem CID135142655
Molecular FormulaC22H35N3
Molecular Weight341.54 g/mol
Exact Mass341.28
IUPAC NameN-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine
SMILESC=N/C=c1/nc(CC2CC(C)CC(C)C2)n(C)/c1=C(\C=C/C)C(C)C
InChIInChI=1S/C22H35N3/c1-8-9-19(15(2)3)22-20(14-23-6)24-21(25(22)7)13-18-11-16(4)10-17(5)12-18/h8-9,14-18H,6,10-13H2,1-5,7H3/b9-8-,20-14+,22-19+
InChIKeyJOBGGURFHRJSCD-YPFXFCQUSA-N
XLogP3.86
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(5Z)-7-fluoro-4-methylideneocta-5,7-dienyl]-1-[(1-methyl-4,5-dimethylideneimidazol-2-yl)methyl]azepane
CID 143552585
4-methyl-2-pentan-2-yl-1-[3-(2-pent-2-enylidene-3,4,5,6,7,8-hexahydroazecin-1-yl)propyl]-7H-cyclohepta[d]imidazole
CID 123829939
N'-[2-[4-[(Z)-3-[(Z)-3-[4-[1-[butyl(methyl)amino]ethenyl]cyclohexen-1-yl]prop-1-enyl]hex-3-enyl]piperidin-1-yl]ethyl]-2-methyl-N-methylidenepropanimidamide
CID 126662165
(7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine
CID 130374259
(1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine
CID 135142718
(1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine
CID 135143108
1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine;ethene
CID 142947991
N'-[(Z,2E)-2-ethylidenehept-3-enyl]-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylcyclohexanecarboximidamide
CID 166885722
(2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane
CID 169177674
N-methyl-1-[3-[(1S,3R)-3-methylcyclohexyl]prop-1-en-2-yl]pyridin-2-imine
CID 169844062
1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine
CID 142947992
(4E)-1-(cycloheptylmethyl)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]-4-(4-methylhex-3-enylidene)-5-methylideneimidazole
CID 143663039

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine?
The IUPAC name of N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine (CID 135142655) is N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine.
What is the SMILES notation for N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine?
The canonical SMILES for N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine is C=N/C=c1/nc(CC2CC(C)CC(C)C2)n(C)/c1=C(\C=C/C)C(C)C.
What is the InChIKey of N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine?
The InChIKey is JOBGGURFHRJSCD-YPFXFCQUSA-N. The full InChI is InChI=1S/C22H35N3/c1-8-9-19(15(2)3)22-20(14-23-6)24-21(25(22)7)13-18-11-16(4)10-17(5)12-18/h8-9,14-18H,6,10-13H2,1-5,7H3/b9-8-,20-14+,22-19+.
What are the key properties of N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine?
N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine has a molecular weight of 341.54 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine is sourced from PubChem (CID 135142655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).