(Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane

C26H42N2 — CID 143007931

IUPAC(Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane
SMILESC=CNC(=N\CCC1CC(C(C)CCC2=CCCC=C2)C1)/C(C=C)=C\C.CC
InChIInChI=1S/C24H36N2.C2H6/c1-5-22(6-2)24(25-7-3)26-16-15-21-17-23(18-21)19(4)13-14-20-11-9-8-10-12-20;1-2/h5-7,9,11-12,19,21,23H,1,3,8,10,13-18H2,2,4H3,(H,25,26);1-2H3/b22-6-;
InChIKeyITDULAUZHDWVDZ-GBDKFIHCSA-N
MW382.64 g/mol
LogP7.39
Rot. Bonds10

About (Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane

(Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane (PubChem CID 143007931) has the molecular formula C26H42N2 and a molecular weight of 382.64 g/mol. Its IUPAC name is (Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane.

Molecular Properties

Compound Name(Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane
PubChem CID143007931
Molecular FormulaC26H42N2
Molecular Weight382.64 g/mol
Exact Mass382.33
IUPAC Name(Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane
SMILESC=CNC(=N\CCC1CC(C(C)CCC2=CCCC=C2)C1)/C(C=C)=C\C.CC
InChIInChI=1S/C24H36N2.C2H6/c1-5-22(6-2)24(25-7-3)26-16-15-21-17-23(18-21)19(4)13-14-20-11-9-8-10-12-20;1-2/h5-7,9,11-12,19,21,23H,1,3,8,10,13-18H2,2,4H3,(H,25,26);1-2H3/b22-6-;
InChIKeyITDULAUZHDWVDZ-GBDKFIHCSA-N
XLogP7.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.64
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane?
The IUPAC name of (Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane (CID 143007931) is (Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane.
What is the SMILES notation for (Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane?
The canonical SMILES for (Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane is C=CNC(=N\CCC1CC(C(C)CCC2=CCCC=C2)C1)/C(C=C)=C\C.CC.
What is the InChIKey of (Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane?
The InChIKey is ITDULAUZHDWVDZ-GBDKFIHCSA-N. The full InChI is InChI=1S/C24H36N2.C2H6/c1-5-22(6-2)24(25-7-3)26-16-15-21-17-23(18-21)19(4)13-14-20-11-9-8-10-12-20;1-2/h5-7,9,11-12,19,21,23H,1,3,8,10,13-18H2,2,4H3,(H,25,26);1-2H3/b22-6-;.
What are the key properties of (Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane?
(Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane has a molecular weight of 382.64 g/mol, XLogP of 7.39, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane is sourced from PubChem (CID 143007931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).