ethane-1,2-diamine;bis(prop-2-enamide)

C8H18N4O2 — CID 23336954

IUPACethane-1,2-diamine;bis(prop-2-enamide)
SMILESC=CC(N)=O.C=CC(N)=O.NCCN
InChIInChI=1S/2C3H5NO.C2H8N2/c2*1-2-3(4)5;3-1-2-4/h2*2H,1H2,(H2,4,5);1-4H2
InChIKeyDUNGUJXHRPAKDY-UHFFFAOYSA-N
MW202.26 g/mol
LogP-1.78
Rot. Bonds3

About ethane-1,2-diamine;bis(prop-2-enamide)

ethane-1,2-diamine;bis(prop-2-enamide) (PubChem CID 23336954) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is ethane-1,2-diamine;bis(prop-2-enamide).

Molecular Properties

Compound Nameethane-1,2-diamine;bis(prop-2-enamide)
PubChem CID23336954
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Nameethane-1,2-diamine;bis(prop-2-enamide)
SMILESC=CC(N)=O.C=CC(N)=O.NCCN
InChIInChI=1S/2C3H5NO.C2H8N2/c2*1-2-3(4)5;3-1-2-4/h2*2H,1H2,(H2,4,5);1-4H2
InChIKeyDUNGUJXHRPAKDY-UHFFFAOYSA-N
XLogP-1.78
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethane-1,2-diamine;bis(prop-2-enamide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;bis(prop-2-enamide)?
The IUPAC name of ethane-1,2-diamine;bis(prop-2-enamide) (CID 23336954) is ethane-1,2-diamine;bis(prop-2-enamide).
What is the SMILES notation for ethane-1,2-diamine;bis(prop-2-enamide)?
The canonical SMILES for ethane-1,2-diamine;bis(prop-2-enamide) is C=CC(N)=O.C=CC(N)=O.NCCN.
What is the InChIKey of ethane-1,2-diamine;bis(prop-2-enamide)?
The InChIKey is DUNGUJXHRPAKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H5NO.C2H8N2/c2*1-2-3(4)5;3-1-2-4/h2*2H,1H2,(H2,4,5);1-4H2.
What are the key properties of ethane-1,2-diamine;bis(prop-2-enamide)?
ethane-1,2-diamine;bis(prop-2-enamide) has a molecular weight of 202.26 g/mol, XLogP of -1.78, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;bis(prop-2-enamide) is sourced from PubChem (CID 23336954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).