(1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine

C21H35N — CID 129066551

IUPAC(1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine
SMILESCCCCC(/C=C1\CC(CC2(CC)CCC2)=CC(C)C1)=N\C
InChIInChI=1S/C21H35N/c1-5-7-9-20(22-4)15-18-12-17(3)13-19(14-18)16-21(6-2)10-8-11-21/h13,15,17H,5-12,14,16H2,1-4H3/b18-15-,22-20+
InChIKeyXWRNJHXYOWPRGY-NHBVQQOOSA-N
MW301.52 g/mol
LogP6.50
Rot. Bonds7

About (1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine

(1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine (PubChem CID 129066551) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is (1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine.

Molecular Properties

Compound Name(1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine
PubChem CID129066551
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC Name(1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine
SMILESCCCCC(/C=C1\CC(CC2(CC)CCC2)=CC(C)C1)=N\C
InChIInChI=1S/C21H35N/c1-5-7-9-20(22-4)15-18-12-17(3)13-19(14-18)16-21(6-2)10-8-11-21/h13,15,17H,5-12,14,16H2,1-4H3/b18-15-,22-20+
InChIKeyXWRNJHXYOWPRGY-NHBVQQOOSA-N
XLogP6.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.52
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine with MolForge

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Related Compounds

Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
CID 11205971
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
N,3,5,5-tetramethylcyclohex-2-en-1-imine
CID 70518167
N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
(5E,9E)-2-[2-(1-propylcyclohexyl)ethyl]-1-azacyclododeca-1,5,9-triene
CID 22816624
N,4a,5-trimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587127
3-[(2E,4E)-5,6-dimethylhepta-2,4-dien-2-yl]-1-N,2-N-dimethyl-6-[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88673397
4-Ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine
CID 90813962
(Z)-6-(3,5-dimethyl-8-bicyclo[5.2.0]nona-2,5-dienyl)-N,6-dimethylhept-4-en-2-imine
CID 123271312
(E)-3,5-dimethyl-N-propylundec-2-en-4-imine
CID 123347173
N,3,7-trimethylcyclohept-2-en-1-imine
CID 123422604

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine?
The IUPAC name of (1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine (CID 129066551) is (1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine.
What is the SMILES notation for (1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine?
The canonical SMILES for (1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine is CCCCC(/C=C1\CC(CC2(CC)CCC2)=CC(C)C1)=N\C.
What is the InChIKey of (1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine?
The InChIKey is XWRNJHXYOWPRGY-NHBVQQOOSA-N. The full InChI is InChI=1S/C21H35N/c1-5-7-9-20(22-4)15-18-12-17(3)13-19(14-18)16-21(6-2)10-8-11-21/h13,15,17H,5-12,14,16H2,1-4H3/b18-15-,22-20+.
What are the key properties of (1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine?
(1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine has a molecular weight of 301.52 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[3-[(1-ethylcyclobutyl)methyl]-5-methylcyclohex-3-en-1-ylidene]-N-methylhexan-2-imine is sourced from PubChem (CID 129066551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).