acetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane

C16H40N8O5P2 — CID 172937135

IUPACacetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane
SMILESC/C=N/NC(=O)CCCCC(=O)NN.CC=O.NNC(=O)CCCCC(=O)NN.P.P
InChIInChI=1S/C8H16N4O2.C6H14N4O2.C2H4O.2H3P/c1-2-10-12-8(14)6-4-3-5-7(13)11-9;7-9-5(11)3-1-2-4-6(12)10-8;1-2-3;;/h2H,3-6,9H2,1H3,(H,11,13)(H,12,14);1-4,7-8H2,(H,9,11)(H,10,12);2H,1H3;2*1H3/b10-2+;;;;
InChIKeyKMAOKSMRNZGIIF-RTEPPGJYSA-N
MW486.50 g/mol
LogP-1.49
Rot. Bonds11

About acetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane

acetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane (PubChem CID 172937135) has the molecular formula C16H40N8O5P2 and a molecular weight of 486.50 g/mol. Its IUPAC name is acetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane.

Molecular Properties

Compound Nameacetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane
PubChem CID172937135
Molecular FormulaC16H40N8O5P2
Molecular Weight486.50 g/mol
Exact Mass486.26
IUPAC Nameacetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane
SMILESC/C=N/NC(=O)CCCCC(=O)NN.CC=O.NNC(=O)CCCCC(=O)NN.P.P
InChIInChI=1S/C8H16N4O2.C6H14N4O2.C2H4O.2H3P/c1-2-10-12-8(14)6-4-3-5-7(13)11-9;7-9-5(11)3-1-2-4-6(12)10-8;1-2-3;;/h2H,3-6,9H2,1H3,(H,11,13)(H,12,14);1-4,7-8H2,(H,9,11)(H,10,12);2H,1H3;2*1H3/b10-2+;;;;
InChIKeyKMAOKSMRNZGIIF-RTEPPGJYSA-N
XLogP-1.49
TPSA223.89 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.50
LogP ≤ 5-1.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze acetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane 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

hexanedihydrazide;pentanedihydrazide
CID 157195533
3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide
CID 155582380
N,N'-bis(but-2-enylideneamino)hexanediamide
CID 4148126
N-[(Z)-ethylideneamino]-3-(methyldisulfanyl)propanamide
CID 91271844
12-hydroxydodecanehydrazide
CID 12718243
10-hydrazinyl-10-oxodecanoic acid
CID 175271493
5-oxohexanehydrazide
CID 126993835
N,N'-bis[(E)-propylideneamino]dodecanediamide
CID 122685099
4-trimethylsilylbutanehydrazide;trihydrate
CID 162097019
N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide
CID 26864550
butanedihydrazide;hydrochloride
CID 54607274
N,N'-bis(butylideneamino)heptanediamide
CID 4260370

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane?
The IUPAC name of acetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane (CID 172937135) is acetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane.
What is the SMILES notation for acetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane?
The canonical SMILES for acetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane is C/C=N/NC(=O)CCCCC(=O)NN.CC=O.NNC(=O)CCCCC(=O)NN.P.P.
What is the InChIKey of acetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane?
The InChIKey is KMAOKSMRNZGIIF-RTEPPGJYSA-N. The full InChI is InChI=1S/C8H16N4O2.C6H14N4O2.C2H4O.2H3P/c1-2-10-12-8(14)6-4-3-5-7(13)11-9;7-9-5(11)3-1-2-4-6(12)10-8;1-2-3;;/h2H,3-6,9H2,1H3,(H,11,13)(H,12,14);1-4,7-8H2,(H,9,11)(H,10,12);2H,1H3;2*1H3/b10-2+;;;;.
What are the key properties of acetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane?
acetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane has a molecular weight of 486.50 g/mol, XLogP of -1.49, 11 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane is sourced from PubChem (CID 172937135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).