3-[2-[bis(3-hydrazinyl-3-oxopropyl)amino]ethyl-(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide

C14H32N10O4 — CID 3045312

IUPAC3-[2-[bis(3-hydrazinyl-3-oxopropyl)amino]ethyl-(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide
SMILESNNC(=O)CCN(CCC(=O)NN)CCN(CCC(=O)NN)CCC(=O)NN
InChIInChI=1S/C14H32N10O4/c15-19-11(25)1-5-23(6-2-12(26)20-16)9-10-24(7-3-13(27)21-17)8-4-14(28)22-18/h1-10,15-18H2,(H,19,25)(H,20,26)(H,21,27)(H,22,28)
InChIKeyPRSYGUNNFMZZES-UHFFFAOYSA-N
MW404.48 g/mol
LogP-4.89
Rot. Bonds15

About 3-[2-[bis(3-hydrazinyl-3-oxopropyl)amino]ethyl-(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide

3-[2-[bis(3-hydrazinyl-3-oxopropyl)amino]ethyl-(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide (PubChem CID 3045312) has the molecular formula C14H32N10O4 and a molecular weight of 404.48 g/mol. Its IUPAC name is 3-[2-[bis(3-hydrazinyl-3-oxopropyl)amino]ethyl-(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide.

Molecular Properties

Compound Name3-[2-[bis(3-hydrazinyl-3-oxopropyl)amino]ethyl-(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide
PubChem CID3045312
Molecular FormulaC14H32N10O4
Molecular Weight404.48 g/mol
Exact Mass404.26
IUPAC Name3-[2-[bis(3-hydrazinyl-3-oxopropyl)amino]ethyl-(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide
SMILESNNC(=O)CCN(CCC(=O)NN)CCN(CCC(=O)NN)CCC(=O)NN
InChIInChI=1S/C14H32N10O4/c15-19-11(25)1-5-23(6-2-12(26)20-16)9-10-24(7-3-13(27)21-17)8-4-14(28)22-18/h1-10,15-18H2,(H,19,25)(H,20,26)(H,21,27)(H,22,28)
InChIKeyPRSYGUNNFMZZES-UHFFFAOYSA-N
XLogP-4.89
TPSA226.96 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.48
LogP ≤ 5-4.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[bis(3-hydrazinyl-3-oxopropyl)amino]ethyl-(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide?
The IUPAC name of 3-[2-[bis(3-hydrazinyl-3-oxopropyl)amino]ethyl-(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide (CID 3045312) is 3-[2-[bis(3-hydrazinyl-3-oxopropyl)amino]ethyl-(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide.
What is the SMILES notation for 3-[2-[bis(3-hydrazinyl-3-oxopropyl)amino]ethyl-(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide?
The canonical SMILES for 3-[2-[bis(3-hydrazinyl-3-oxopropyl)amino]ethyl-(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide is NNC(=O)CCN(CCC(=O)NN)CCN(CCC(=O)NN)CCC(=O)NN.
What is the InChIKey of 3-[2-[bis(3-hydrazinyl-3-oxopropyl)amino]ethyl-(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide?
The InChIKey is PRSYGUNNFMZZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N10O4/c15-19-11(25)1-5-23(6-2-12(26)20-16)9-10-24(7-3-13(27)21-17)8-4-14(28)22-18/h1-10,15-18H2,(H,19,25)(H,20,26)(H,21,27)(H,22,28).
What are the key properties of 3-[2-[bis(3-hydrazinyl-3-oxopropyl)amino]ethyl-(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide?
3-[2-[bis(3-hydrazinyl-3-oxopropyl)amino]ethyl-(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide has a molecular weight of 404.48 g/mol, XLogP of -4.89, 15 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[bis(3-hydrazinyl-3-oxopropyl)amino]ethyl-(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide is sourced from PubChem (CID 3045312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).