3-[2-[2-aminoethyl-(3-hydrazinyl-3-oxopropyl)amino]ethylamino]propanehydrazide

C10H25N7O2 — CID 23136119

IUPAC3-[2-[2-aminoethyl-(3-hydrazinyl-3-oxopropyl)amino]ethylamino]propanehydrazide
SMILESNCCN(CCNCCC(=O)NN)CCC(=O)NN
InChIInChI=1S/C10H25N7O2/c11-3-7-17(6-2-10(19)16-13)8-5-14-4-1-9(18)15-12/h14H,1-8,11-13H2,(H,15,18)(H,16,19)
InChIKeyOGWSYCUJEBXUJV-UHFFFAOYSA-N
MW275.36 g/mol
LogP-3.40
Rot. Bonds11

About 3-[2-[2-aminoethyl-(3-hydrazinyl-3-oxopropyl)amino]ethylamino]propanehydrazide

3-[2-[2-aminoethyl-(3-hydrazinyl-3-oxopropyl)amino]ethylamino]propanehydrazide (PubChem CID 23136119) has the molecular formula C10H25N7O2 and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-[2-[2-aminoethyl-(3-hydrazinyl-3-oxopropyl)amino]ethylamino]propanehydrazide.

Molecular Properties

Compound Name3-[2-[2-aminoethyl-(3-hydrazinyl-3-oxopropyl)amino]ethylamino]propanehydrazide
PubChem CID23136119
Molecular FormulaC10H25N7O2
Molecular Weight275.36 g/mol
Exact Mass275.21
IUPAC Name3-[2-[2-aminoethyl-(3-hydrazinyl-3-oxopropyl)amino]ethylamino]propanehydrazide
SMILESNCCN(CCNCCC(=O)NN)CCC(=O)NN
InChIInChI=1S/C10H25N7O2/c11-3-7-17(6-2-10(19)16-13)8-5-14-4-1-9(18)15-12/h14H,1-8,11-13H2,(H,15,18)(H,16,19)
InChIKeyOGWSYCUJEBXUJV-UHFFFAOYSA-N
XLogP-3.40
TPSA151.53 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.36
LogP ≤ 5-3.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Methylpiperazin-1-yl)propanehydrazide
CID 2400453
3,3'-Iminobis(propionohydrazide)
CID 66132
3,3',3''-Nitrilotris(propionohydrazide)
CID 3045313
N,N,N',N'-Tetrakis(3-hydrazino-3-oxopropyl)ethylenediamine
CID 3045312
2,2-Difluoro-3-{methyl[2-(methylamino)ethyl]amino}propanehydrazide
CID 165859805
N-(Aminoacetamido)-N-[2-(aminoacetamido)-ethyl]-3-(aminoacetamido)-propylamine
CID 17944091
3-[(3-Hydrazinyl-3-oxopropyl)-methylamino]propanehydrazide
CID 20591290
3-[2-(2-Aminoethylamino)ethyl-(3-amino-3-oxopropyl)amino]propanamide
CID 22621407
3-[2-[2-(2-Aminoethylamino)ethylamino]ethyl-(3-amino-3-oxopropyl)amino]propanamide
CID 22621409
3-[4-(3-Hydrazinyl-3-oxopropyl)piperazin-1-yl]propanehydrazide
CID 23136054
2-[3-[4-(3-Aminopropylamino)butylamino]propylamino]acetohydrazide
CID 23396821
3-(Dipropylamino)propanohydrazide
CID 28307071

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-aminoethyl-(3-hydrazinyl-3-oxopropyl)amino]ethylamino]propanehydrazide?
The IUPAC name of 3-[2-[2-aminoethyl-(3-hydrazinyl-3-oxopropyl)amino]ethylamino]propanehydrazide (CID 23136119) is 3-[2-[2-aminoethyl-(3-hydrazinyl-3-oxopropyl)amino]ethylamino]propanehydrazide.
What is the SMILES notation for 3-[2-[2-aminoethyl-(3-hydrazinyl-3-oxopropyl)amino]ethylamino]propanehydrazide?
The canonical SMILES for 3-[2-[2-aminoethyl-(3-hydrazinyl-3-oxopropyl)amino]ethylamino]propanehydrazide is NCCN(CCNCCC(=O)NN)CCC(=O)NN.
What is the InChIKey of 3-[2-[2-aminoethyl-(3-hydrazinyl-3-oxopropyl)amino]ethylamino]propanehydrazide?
The InChIKey is OGWSYCUJEBXUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N7O2/c11-3-7-17(6-2-10(19)16-13)8-5-14-4-1-9(18)15-12/h14H,1-8,11-13H2,(H,15,18)(H,16,19).
What are the key properties of 3-[2-[2-aminoethyl-(3-hydrazinyl-3-oxopropyl)amino]ethylamino]propanehydrazide?
3-[2-[2-aminoethyl-(3-hydrazinyl-3-oxopropyl)amino]ethylamino]propanehydrazide has a molecular weight of 275.36 g/mol, XLogP of -3.40, 11 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-aminoethyl-(3-hydrazinyl-3-oxopropyl)amino]ethylamino]propanehydrazide is sourced from PubChem (CID 23136119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).