(Z)-1-cyclohexyl-N,3,5,5-tetramethyloct-2-en-1-imine;(3Z)-2-methylpenta-1,3-diene

C24H43N — CID 145299275

IUPAC(Z)-1-cyclohexyl-N,3,5,5-tetramethyloct-2-en-1-imine;(3Z)-2-methylpenta-1,3-diene
SMILESC=C(C)/C=C\C.CCCC(C)(C)C/C(C)=C\C(=N/C)C1CCCCC1
InChIInChI=1S/C18H33N.C6H10/c1-6-12-18(3,4)14-15(2)13-17(19-5)16-10-8-7-9-11-16;1-4-5-6(2)3/h13,16H,6-12,14H2,1-5H3;4-5H,2H2,1,3H3/b15-13-,19-17+;5-4-
InChIKeyAYYKMPPRTCALBA-VVRZPCBUSA-N
MW345.62 g/mol
LogP7.94
Rot. Bonds7

About (Z)-1-cyclohexyl-N,3,5,5-tetramethyloct-2-en-1-imine;(3Z)-2-methylpenta-1,3-diene

(Z)-1-cyclohexyl-N,3,5,5-tetramethyloct-2-en-1-imine;(3Z)-2-methylpenta-1,3-diene (PubChem CID 145299275) has the molecular formula C24H43N and a molecular weight of 345.62 g/mol. Its IUPAC name is (Z)-1-cyclohexyl-N,3,5,5-tetramethyloct-2-en-1-imine;(3Z)-2-methylpenta-1,3-diene.

Molecular Properties

Compound Name(Z)-1-cyclohexyl-N,3,5,5-tetramethyloct-2-en-1-imine;(3Z)-2-methylpenta-1,3-diene
PubChem CID145299275
Molecular FormulaC24H43N
Molecular Weight345.62 g/mol
Exact Mass345.34
IUPAC Name(Z)-1-cyclohexyl-N,3,5,5-tetramethyloct-2-en-1-imine;(3Z)-2-methylpenta-1,3-diene
SMILESC=C(C)/C=C\C.CCCC(C)(C)C/C(C)=C\C(=N/C)C1CCCCC1
InChIInChI=1S/C18H33N.C6H10/c1-6-12-18(3,4)14-15(2)13-17(19-5)16-10-8-7-9-11-16;1-4-5-6(2)3/h13,16H,6-12,14H2,1-5H3;4-5H,2H2,1,3H3/b15-13-,19-17+;5-4-
InChIKeyAYYKMPPRTCALBA-VVRZPCBUSA-N
XLogP7.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.62
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-1-cyclohexyl-N,3,5,5-tetramethyloct-2-en-1-imine;(3Z)-2-methylpenta-1,3-diene with MolForge

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Related Compounds

[4-Ethyl-6-(2-fluorocyclohepta-2,4,5-trien-1-yl)-2,4-dimethyl-1-(5-methylcyclohepta-1,3,6-trien-1-yl)hexylidene]-dimethylazanium
CID 124009904
5-[3-[3-[(2Z)-4-(fluoromethyl)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]-5-methyl-2-prop-1-en-2-ylcyclopenta-1,4-dien-1-yl]-2,2-dimethylpropyl]-3-methyl-2H-pyrrole
CID 139471354
(E)-7-[(4E)-4-[(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]-N,2,2-trimethyloct-4-en-3-imine
CID 143315954
(3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine
CID 167265238
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
(5E,9E)-2-[2-(1-propylcyclohexyl)ethyl]-1-azacyclododeca-1,5,9-triene
CID 22816624
N,3,5,5-tetramethylcyclohex-2-en-1-imine
CID 70518167
3-[(2E,4E)-5,6-dimethylhepta-2,4-dien-2-yl]-1-N,2-N-dimethyl-6-[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 87085215
1-N,2-N-dimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88553588
1-N,2-N,4,5-tetramethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88556051
3-[(E,4E)-4-(3,3-dimethylpentan-2-ylidene)dec-2-en-2-yl]-1-N,2-N-dimethyl-6-[(E,4E)-4-(3-methylbutan-2-ylidene)dec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88556143

Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclohexyl-N,3,5,5-tetramethyloct-2-en-1-imine;(3Z)-2-methylpenta-1,3-diene?
The IUPAC name of (Z)-1-cyclohexyl-N,3,5,5-tetramethyloct-2-en-1-imine;(3Z)-2-methylpenta-1,3-diene (CID 145299275) is (Z)-1-cyclohexyl-N,3,5,5-tetramethyloct-2-en-1-imine;(3Z)-2-methylpenta-1,3-diene.
What is the SMILES notation for (Z)-1-cyclohexyl-N,3,5,5-tetramethyloct-2-en-1-imine;(3Z)-2-methylpenta-1,3-diene?
The canonical SMILES for (Z)-1-cyclohexyl-N,3,5,5-tetramethyloct-2-en-1-imine;(3Z)-2-methylpenta-1,3-diene is C=C(C)/C=C\C.CCCC(C)(C)C/C(C)=C\C(=N/C)C1CCCCC1.
What is the InChIKey of (Z)-1-cyclohexyl-N,3,5,5-tetramethyloct-2-en-1-imine;(3Z)-2-methylpenta-1,3-diene?
The InChIKey is AYYKMPPRTCALBA-VVRZPCBUSA-N. The full InChI is InChI=1S/C18H33N.C6H10/c1-6-12-18(3,4)14-15(2)13-17(19-5)16-10-8-7-9-11-16;1-4-5-6(2)3/h13,16H,6-12,14H2,1-5H3;4-5H,2H2,1,3H3/b15-13-,19-17+;5-4-.
What are the key properties of (Z)-1-cyclohexyl-N,3,5,5-tetramethyloct-2-en-1-imine;(3Z)-2-methylpenta-1,3-diene?
(Z)-1-cyclohexyl-N,3,5,5-tetramethyloct-2-en-1-imine;(3Z)-2-methylpenta-1,3-diene has a molecular weight of 345.62 g/mol, XLogP of 7.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclohexyl-N,3,5,5-tetramethyloct-2-en-1-imine;(3Z)-2-methylpenta-1,3-diene is sourced from PubChem (CID 145299275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).