N-[(Z)-5-cyclooctylpent-2-en-3-yl]-1-(4-methylphenyl)ethanimine;1-(2-ethyl-6-methylphenyl)ethenol

C33H47NO — CID 142217123

IUPACN-[(Z)-5-cyclooctylpent-2-en-3-yl]-1-(4-methylphenyl)ethanimine;1-(2-ethyl-6-methylphenyl)ethenol
SMILESC/C=C(CCC1CCCCCCC1)\N=C(/C)c1ccc(C)cc1.C=C(O)c1c(C)cccc1CC
InChIInChI=1S/C22H33N.C11H14O/c1-4-22(17-14-20-10-8-6-5-7-9-11-20)23-19(3)21-15-12-18(2)13-16-21;1-4-10-7-5-6-8(2)11(10)9(3)12/h4,12-13,15-16,20H,5-11,14,17H2,1-3H3;5-7,12H,3-4H2,1-2H3/b22-4-,23-19+;
InChIKeyJSYZHHNFZPNLPF-VMWKVWDXSA-N
MW473.75 g/mol
LogP9.93
Rot. Bonds7

About N-[(Z)-5-cyclooctylpent-2-en-3-yl]-1-(4-methylphenyl)ethanimine;1-(2-ethyl-6-methylphenyl)ethenol

N-[(Z)-5-cyclooctylpent-2-en-3-yl]-1-(4-methylphenyl)ethanimine;1-(2-ethyl-6-methylphenyl)ethenol (PubChem CID 142217123) has the molecular formula C33H47NO and a molecular weight of 473.75 g/mol. Its IUPAC name is N-[(Z)-5-cyclooctylpent-2-en-3-yl]-1-(4-methylphenyl)ethanimine;1-(2-ethyl-6-methylphenyl)ethenol.

Molecular Properties

Compound NameN-[(Z)-5-cyclooctylpent-2-en-3-yl]-1-(4-methylphenyl)ethanimine;1-(2-ethyl-6-methylphenyl)ethenol
PubChem CID142217123
Molecular FormulaC33H47NO
Molecular Weight473.75 g/mol
Exact Mass473.37
IUPAC NameN-[(Z)-5-cyclooctylpent-2-en-3-yl]-1-(4-methylphenyl)ethanimine;1-(2-ethyl-6-methylphenyl)ethenol
SMILESC/C=C(CCC1CCCCCCC1)\N=C(/C)c1ccc(C)cc1.C=C(O)c1c(C)cccc1CC
InChIInChI=1S/C22H33N.C11H14O/c1-4-22(17-14-20-10-8-6-5-7-9-11-20)23-19(3)21-15-12-18(2)13-16-21;1-4-10-7-5-6-8(2)11(10)9(3)12/h4,12-13,15-16,20H,5-11,14,17H2,1-3H3;5-7,12H,3-4H2,1-2H3/b22-4-,23-19+;
InChIKeyJSYZHHNFZPNLPF-VMWKVWDXSA-N
XLogP9.93
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.75
LogP ≤ 59.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(Z)-5-cyclooctylpent-2-en-3-yl]-1-(4-methylphenyl)ethanimine;1-(2-ethyl-6-methylphenyl)ethenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-(2,3-Dimethylphenyl)-2-(3-methyl-3,4-dihydropyridin-6-yl)ethyl]-2-(trifluoromethyl)phenyl]ethenol;ethane
CID 177218721
3-(5,5-Dimethyl-3,4-dihydropyrrol-2-yl)-1-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]propan-1-ol
CID 68217264
2-[2-[3-[3-[(Z)-2-(7-chloro-3,4,4a,5-tetrahydroquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol
CID 89150405
[2-ethyl-5-[(2E,4E)-5-ethyl-6-prop-1-en-2-yliminohepta-2,4-dien-2-yl]phenyl]methanol
CID 126516152
[5-(4-Ethyl-3,4-dihydropyridin-2-yl)-2-methylphenyl]methanol
CID 141894904
4-(2,5-dimethylphenyl)-5-methylhexa-1,4-dien-2-amine;(3Z,5Z)-4-ethylhepta-1,3,5-triene;1-(4-ethylphenyl)ethenol
CID 143140047
ethane;2-methylheptane;[2-methyl-5-[(2E,4E)-6-methyl-5-[C-methyl-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]hepta-2,4,6-trien-2-yl]phenyl]methanol
CID 143633401
1-[4-[2-(2,3-Dimethylphenyl)-2-(3-methyl-3,4-dihydropyridin-6-yl)ethyl]-2,6-dimethylphenyl]ethenol;ethane
CID 177218539
cyclobutylidene-[4-[(Z)-2-(2,3-dimethylphenyl)-3-(ethylideneamino)hept-3-enyl]-2,6-dimethylphenyl]methanol
CID 177996535
3-Methyl-1-(2,4,6-trimethylphenyl)isoindol-1-ol
CID 85822390
[2-methyl-5-[(2E,4E)-6-methyl-5-[C-methyl-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]hepta-2,4,6-trien-2-yl]phenyl]methanol
CID 143633402
1-[4-[2-(2,3-Dimethylphenyl)-2-(3-methyl-3,4-dihydropyridin-6-yl)ethyl]-2,6-dimethylphenyl]ethenol
CID 177218540

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5-cyclooctylpent-2-en-3-yl]-1-(4-methylphenyl)ethanimine;1-(2-ethyl-6-methylphenyl)ethenol?
The IUPAC name of N-[(Z)-5-cyclooctylpent-2-en-3-yl]-1-(4-methylphenyl)ethanimine;1-(2-ethyl-6-methylphenyl)ethenol (CID 142217123) is N-[(Z)-5-cyclooctylpent-2-en-3-yl]-1-(4-methylphenyl)ethanimine;1-(2-ethyl-6-methylphenyl)ethenol.
What is the SMILES notation for N-[(Z)-5-cyclooctylpent-2-en-3-yl]-1-(4-methylphenyl)ethanimine;1-(2-ethyl-6-methylphenyl)ethenol?
The canonical SMILES for N-[(Z)-5-cyclooctylpent-2-en-3-yl]-1-(4-methylphenyl)ethanimine;1-(2-ethyl-6-methylphenyl)ethenol is C/C=C(CCC1CCCCCCC1)\N=C(/C)c1ccc(C)cc1.C=C(O)c1c(C)cccc1CC.
What is the InChIKey of N-[(Z)-5-cyclooctylpent-2-en-3-yl]-1-(4-methylphenyl)ethanimine;1-(2-ethyl-6-methylphenyl)ethenol?
The InChIKey is JSYZHHNFZPNLPF-VMWKVWDXSA-N. The full InChI is InChI=1S/C22H33N.C11H14O/c1-4-22(17-14-20-10-8-6-5-7-9-11-20)23-19(3)21-15-12-18(2)13-16-21;1-4-10-7-5-6-8(2)11(10)9(3)12/h4,12-13,15-16,20H,5-11,14,17H2,1-3H3;5-7,12H,3-4H2,1-2H3/b22-4-,23-19+;.
What are the key properties of N-[(Z)-5-cyclooctylpent-2-en-3-yl]-1-(4-methylphenyl)ethanimine;1-(2-ethyl-6-methylphenyl)ethenol?
N-[(Z)-5-cyclooctylpent-2-en-3-yl]-1-(4-methylphenyl)ethanimine;1-(2-ethyl-6-methylphenyl)ethenol has a molecular weight of 473.75 g/mol, XLogP of 9.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-cyclooctylpent-2-en-3-yl]-1-(4-methylphenyl)ethanimine;1-(2-ethyl-6-methylphenyl)ethenol is sourced from PubChem (CID 142217123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).