2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetohydrazide

C12H30N6O — CID 23396821

IUPAC2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetohydrazide
SMILESNCCCNCCCCNCCCNCC(=O)NN
InChIInChI=1S/C12H30N6O/c13-5-3-8-15-6-1-2-7-16-9-4-10-17-11-12(19)18-14/h15-17H,1-11,13-14H2,(H,18,19)
InChIKeyVJWALSMTTRLCOZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP-1.74
Rot. Bonds14

About 2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetohydrazide

2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetohydrazide (PubChem CID 23396821) has the molecular formula C12H30N6O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetohydrazide.

Molecular Properties

Compound Name2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetohydrazide
PubChem CID23396821
Molecular FormulaC12H30N6O
Molecular Weight274.41 g/mol
Exact Mass274.25
IUPAC Name2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetohydrazide
SMILESNCCCNCCCCNCCCNCC(=O)NN
InChIInChI=1S/C12H30N6O/c13-5-3-8-15-6-1-2-7-16-9-4-10-17-11-12(19)18-14/h15-17H,1-11,13-14H2,(H,18,19)
InChIKeyVJWALSMTTRLCOZ-UHFFFAOYSA-N
XLogP-1.74
TPSA117.23 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 5-1.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetohydrazide?
The IUPAC name of 2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetohydrazide (CID 23396821) is 2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetohydrazide.
What is the SMILES notation for 2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetohydrazide?
The canonical SMILES for 2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetohydrazide is NCCCNCCCCNCCCNCC(=O)NN.
What is the InChIKey of 2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetohydrazide?
The InChIKey is VJWALSMTTRLCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N6O/c13-5-3-8-15-6-1-2-7-16-9-4-10-17-11-12(19)18-14/h15-17H,1-11,13-14H2,(H,18,19).
What are the key properties of 2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetohydrazide?
2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetohydrazide has a molecular weight of 274.41 g/mol, XLogP of -1.74, 14 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetohydrazide is sourced from PubChem (CID 23396821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).