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

C7H15N5O — CID 140637142

IUPACN-[2-(2-aminoethylamino)ethyl]-2-diazenylprop-2-enamide
SMILES[H]/N=N/C(=C)C(=O)NCCNCCN
InChIInChI=1S/C7H15N5O/c1-6(12-9)7(13)11-5-4-10-3-2-8/h9-10H,1-5,8H2,(H,11,13)/b12-9+
InChIKeyBORCJUBNLRKEHG-FMIVXFBMSA-N
MW185.23 g/mol
LogP-0.80
Rot. Bonds7

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

N-[2-(2-aminoethylamino)ethyl]-2-diazenylprop-2-enamide (PubChem CID 140637142) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)ethyl]-2-diazenylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)ethyl]-2-diazenylprop-2-enamide
PubChem CID140637142
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC NameN-[2-(2-aminoethylamino)ethyl]-2-diazenylprop-2-enamide
SMILES[H]/N=N/C(=C)C(=O)NCCNCCN
InChIInChI=1S/C7H15N5O/c1-6(12-9)7(13)11-5-4-10-3-2-8/h9-10H,1-5,8H2,(H,11,13)/b12-9+
InChIKeyBORCJUBNLRKEHG-FMIVXFBMSA-N
XLogP-0.80
TPSA103.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide
CID 100925313
N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide
CID 59846980
2-[2-(2-aminoethylamino)ethylamino]ethylurea
CID 175595434
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene
CID 88832699
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid
CID 158173045
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)
CID 87573177
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylamino)ethyl]-2-diazenylprop-2-enamide?
The IUPAC name of N-[2-(2-aminoethylamino)ethyl]-2-diazenylprop-2-enamide (CID 140637142) is N-[2-(2-aminoethylamino)ethyl]-2-diazenylprop-2-enamide.
What is the SMILES notation for N-[2-(2-aminoethylamino)ethyl]-2-diazenylprop-2-enamide?
The canonical SMILES for N-[2-(2-aminoethylamino)ethyl]-2-diazenylprop-2-enamide is [H]/N=N/C(=C)C(=O)NCCNCCN.
What is the InChIKey of N-[2-(2-aminoethylamino)ethyl]-2-diazenylprop-2-enamide?
The InChIKey is BORCJUBNLRKEHG-FMIVXFBMSA-N. The full InChI is InChI=1S/C7H15N5O/c1-6(12-9)7(13)11-5-4-10-3-2-8/h9-10H,1-5,8H2,(H,11,13)/b12-9+.
What are the key properties of N-[2-(2-aminoethylamino)ethyl]-2-diazenylprop-2-enamide?
N-[2-(2-aminoethylamino)ethyl]-2-diazenylprop-2-enamide has a molecular weight of 185.23 g/mol, XLogP of -0.80, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylamino)ethyl]-2-diazenylprop-2-enamide is sourced from PubChem (CID 140637142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).