N-[2-(2-aminoethylamino)ethyl]-2-hydrazinylprop-2-enamide

C7H17N5O — CID 89114743

IUPACN-[2-(2-aminoethylamino)ethyl]-2-hydrazinylprop-2-enamide
SMILESC=C(NN)C(=O)NCCNCCN
InChIInChI=1S/C7H17N5O/c1-6(12-9)7(13)11-5-4-10-3-2-8/h10,12H,1-5,8-9H2,(H,11,13)
InChIKeyVFHYTEVTCWIGJL-UHFFFAOYSA-N
MW187.25 g/mol
LogP-2.37
Rot. Bonds7

About N-[2-(2-aminoethylamino)ethyl]-2-hydrazinylprop-2-enamide

N-[2-(2-aminoethylamino)ethyl]-2-hydrazinylprop-2-enamide (PubChem CID 89114743) has the molecular formula C7H17N5O and a molecular weight of 187.25 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)ethyl]-2-hydrazinylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)ethyl]-2-hydrazinylprop-2-enamide
PubChem CID89114743
Molecular FormulaC7H17N5O
Molecular Weight187.25 g/mol
Exact Mass187.14
IUPAC NameN-[2-(2-aminoethylamino)ethyl]-2-hydrazinylprop-2-enamide
SMILESC=C(NN)C(=O)NCCNCCN
InChIInChI=1S/C7H17N5O/c1-6(12-9)7(13)11-5-4-10-3-2-8/h10,12H,1-5,8-9H2,(H,11,13)
InChIKeyVFHYTEVTCWIGJL-UHFFFAOYSA-N
XLogP-2.37
TPSA105.20 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 5-2.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 N-[2-(2-aminoethylamino)ethyl]-2-hydrazinylprop-2-enamide?
The IUPAC name of N-[2-(2-aminoethylamino)ethyl]-2-hydrazinylprop-2-enamide (CID 89114743) is N-[2-(2-aminoethylamino)ethyl]-2-hydrazinylprop-2-enamide.
What is the SMILES notation for N-[2-(2-aminoethylamino)ethyl]-2-hydrazinylprop-2-enamide?
The canonical SMILES for N-[2-(2-aminoethylamino)ethyl]-2-hydrazinylprop-2-enamide is C=C(NN)C(=O)NCCNCCN.
What is the InChIKey of N-[2-(2-aminoethylamino)ethyl]-2-hydrazinylprop-2-enamide?
The InChIKey is VFHYTEVTCWIGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5O/c1-6(12-9)7(13)11-5-4-10-3-2-8/h10,12H,1-5,8-9H2,(H,11,13).
What are the key properties of N-[2-(2-aminoethylamino)ethyl]-2-hydrazinylprop-2-enamide?
N-[2-(2-aminoethylamino)ethyl]-2-hydrazinylprop-2-enamide has a molecular weight of 187.25 g/mol, XLogP of -2.37, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylamino)ethyl]-2-hydrazinylprop-2-enamide is sourced from PubChem (CID 89114743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).