2-[amino(ethyl)amino]prop-2-enal

C5H10N2O — CID 170571056

IUPAC2-[amino(ethyl)amino]prop-2-enal
SMILESC=C(C=O)N(N)CC
InChIInChI=1S/C5H10N2O/c1-3-7(6)5(2)4-8/h4H,2-3,6H2,1H3
InChIKeyXRVLITDGPDTNMO-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.11
Rot. Bonds3

About 2-[amino(ethyl)amino]prop-2-enal

2-[amino(ethyl)amino]prop-2-enal (PubChem CID 170571056) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-[amino(ethyl)amino]prop-2-enal.

Molecular Properties

Compound Name2-[amino(ethyl)amino]prop-2-enal
PubChem CID170571056
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2-[amino(ethyl)amino]prop-2-enal
SMILESC=C(C=O)N(N)CC
InChIInChI=1S/C5H10N2O/c1-3-7(6)5(2)4-8/h4H,2-3,6H2,1H3
InChIKeyXRVLITDGPDTNMO-UHFFFAOYSA-N
XLogP-0.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 2-[amino(ethyl)amino]prop-2-enal?
The IUPAC name of 2-[amino(ethyl)amino]prop-2-enal (CID 170571056) is 2-[amino(ethyl)amino]prop-2-enal.
What is the SMILES notation for 2-[amino(ethyl)amino]prop-2-enal?
The canonical SMILES for 2-[amino(ethyl)amino]prop-2-enal is C=C(C=O)N(N)CC.
What is the InChIKey of 2-[amino(ethyl)amino]prop-2-enal?
The InChIKey is XRVLITDGPDTNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3-7(6)5(2)4-8/h4H,2-3,6H2,1H3.
What are the key properties of 2-[amino(ethyl)amino]prop-2-enal?
2-[amino(ethyl)amino]prop-2-enal has a molecular weight of 114.15 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(ethyl)amino]prop-2-enal is sourced from PubChem (CID 170571056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).