ethane;(Z)-3-[6-[[(2E)-2-hydrazinylidene-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propylidene]amino]hexylimino]-2-methylprop-1-en-1-amine

C24H49N5O4 — CID 166558266

IUPACethane;(Z)-3-[6-[[(2E)-2-hydrazinylidene-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propylidene]amino]hexylimino]-2-methylprop-1-en-1-amine
SMILESCC.CCCOCCOCCOCCOCC(/C=N/CCCCCC/N=C/C(C)=C\N)=N/N
InChIInChI=1S/C22H43N5O4.C2H6/c1-3-10-28-11-12-29-13-14-30-15-16-31-20-22(27-24)19-26-9-7-5-4-6-8-25-18-21(2)17-23;1-2/h17-19H,3-16,20,23-24H2,1-2H3;1-2H3/b21-17-,25-18+,26-19+,27-22+;
InChIKeyYTERQPYIIVDHTL-UZSQYWQJSA-N
MW471.69 g/mol
LogP3.37
Rot. Bonds22

About ethane;(Z)-3-[6-[[(2E)-2-hydrazinylidene-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propylidene]amino]hexylimino]-2-methylprop-1-en-1-amine

ethane;(Z)-3-[6-[[(2E)-2-hydrazinylidene-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propylidene]amino]hexylimino]-2-methylprop-1-en-1-amine (PubChem CID 166558266) has the molecular formula C24H49N5O4 and a molecular weight of 471.69 g/mol. Its IUPAC name is ethane;(Z)-3-[6-[[(2E)-2-hydrazinylidene-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propylidene]amino]hexylimino]-2-methylprop-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-3-[6-[[(2E)-2-hydrazinylidene-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propylidene]amino]hexylimino]-2-methylprop-1-en-1-amine
PubChem CID166558266
Molecular FormulaC24H49N5O4
Molecular Weight471.69 g/mol
Exact Mass471.38
IUPAC Nameethane;(Z)-3-[6-[[(2E)-2-hydrazinylidene-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propylidene]amino]hexylimino]-2-methylprop-1-en-1-amine
SMILESCC.CCCOCCOCCOCCOCC(/C=N/CCCCCC/N=C/C(C)=C\N)=N/N
InChIInChI=1S/C22H43N5O4.C2H6/c1-3-10-28-11-12-29-13-14-30-15-16-31-20-22(27-24)19-26-9-7-5-4-6-8-25-18-21(2)17-23;1-2/h17-19H,3-16,20,23-24H2,1-2H3;1-2H3/b21-17-,25-18+,26-19+,27-22+;
InChIKeyYTERQPYIIVDHTL-UZSQYWQJSA-N
XLogP3.37
TPSA126.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.69
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethane;(Z)-3-[6-[[(2E)-2-hydrazinylidene-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propylidene]amino]hexylimino]-2-methylprop-1-en-1-amine 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

4-[2-[2-[[(2E)-2-hydrazinylidene-3-[2-(2-hydroxypentoxy)ethoxy]propylidene]amino]ethoxy]ethoxy]butan-2-one
CID 164540751
N-[4-[[(2E)-3-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]butyl]-2,2-dimethylpropanamide
CID 171587024
N-[(3,5-dioctadecoxyphenyl)methyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[fluoro(methyl)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropan-1-imine
CID 148916038
ethane;1-(2-propoxyethoxy)butane
CID 164535746
butyl 2-(2-propoxyethoxy)acetate
CID 63684669
azane;1-propoxybutane
CID 87292575
2-(2-propoxyethoxy)ethanethioamide
CID 63686022
(2Z)-2-hydrazinylidene-4-methyl-N-propylpentan-1-imine
CID 176931503
(2,4,6-trifluorophenyl) 3-[2-[2-[2-[2-[[(2E)-3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-hydrazinylidenepropylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170718887
2-butoxyethyl acetate;2-propoxyethyl acetate
CID 88726109
2,3-dimethyl-1,4-dipropoxybut-2-ene
CID 131851897
2-propoxyethyl N'-aminocarbamimidothioate
CID 106459244

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-[6-[[(2E)-2-hydrazinylidene-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propylidene]amino]hexylimino]-2-methylprop-1-en-1-amine?
The IUPAC name of ethane;(Z)-3-[6-[[(2E)-2-hydrazinylidene-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propylidene]amino]hexylimino]-2-methylprop-1-en-1-amine (CID 166558266) is ethane;(Z)-3-[6-[[(2E)-2-hydrazinylidene-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propylidene]amino]hexylimino]-2-methylprop-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-3-[6-[[(2E)-2-hydrazinylidene-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propylidene]amino]hexylimino]-2-methylprop-1-en-1-amine?
The canonical SMILES for ethane;(Z)-3-[6-[[(2E)-2-hydrazinylidene-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propylidene]amino]hexylimino]-2-methylprop-1-en-1-amine is CC.CCCOCCOCCOCCOCC(/C=N/CCCCCC/N=C/C(C)=C\N)=N/N.
What is the InChIKey of ethane;(Z)-3-[6-[[(2E)-2-hydrazinylidene-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propylidene]amino]hexylimino]-2-methylprop-1-en-1-amine?
The InChIKey is YTERQPYIIVDHTL-UZSQYWQJSA-N. The full InChI is InChI=1S/C22H43N5O4.C2H6/c1-3-10-28-11-12-29-13-14-30-15-16-31-20-22(27-24)19-26-9-7-5-4-6-8-25-18-21(2)17-23;1-2/h17-19H,3-16,20,23-24H2,1-2H3;1-2H3/b21-17-,25-18+,26-19+,27-22+;.
What are the key properties of ethane;(Z)-3-[6-[[(2E)-2-hydrazinylidene-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propylidene]amino]hexylimino]-2-methylprop-1-en-1-amine?
ethane;(Z)-3-[6-[[(2E)-2-hydrazinylidene-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propylidene]amino]hexylimino]-2-methylprop-1-en-1-amine has a molecular weight of 471.69 g/mol, XLogP of 3.37, 22 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-[6-[[(2E)-2-hydrazinylidene-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propylidene]amino]hexylimino]-2-methylprop-1-en-1-amine is sourced from PubChem (CID 166558266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).