2-(ethylaminomethylamino)prop-2-enal

C6H12N2O — CID 126639192

IUPAC2-(ethylaminomethylamino)prop-2-enal
SMILESC=C(C=O)NCNCC
InChIInChI=1S/C6H12N2O/c1-3-7-5-8-6(2)4-9/h4,7-8H,2-3,5H2,1H3
InChIKeyBIIJYSIZIJSPNV-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.14
Rot. Bonds5

About 2-(ethylaminomethylamino)prop-2-enal

2-(ethylaminomethylamino)prop-2-enal (PubChem CID 126639192) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-(ethylaminomethylamino)prop-2-enal.

Molecular Properties

Compound Name2-(ethylaminomethylamino)prop-2-enal
PubChem CID126639192
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-(ethylaminomethylamino)prop-2-enal
SMILESC=C(C=O)NCNCC
InChIInChI=1S/C6H12N2O/c1-3-7-5-8-6(2)4-9/h4,7-8H,2-3,5H2,1H3
InChIKeyBIIJYSIZIJSPNV-UHFFFAOYSA-N
XLogP-0.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethylamino)prop-2-enal?
The IUPAC name of 2-(ethylaminomethylamino)prop-2-enal (CID 126639192) is 2-(ethylaminomethylamino)prop-2-enal.
What is the SMILES notation for 2-(ethylaminomethylamino)prop-2-enal?
The canonical SMILES for 2-(ethylaminomethylamino)prop-2-enal is C=C(C=O)NCNCC.
What is the InChIKey of 2-(ethylaminomethylamino)prop-2-enal?
The InChIKey is BIIJYSIZIJSPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-7-5-8-6(2)4-9/h4,7-8H,2-3,5H2,1H3.
What are the key properties of 2-(ethylaminomethylamino)prop-2-enal?
2-(ethylaminomethylamino)prop-2-enal has a molecular weight of 128.17 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethylamino)prop-2-enal is sourced from PubChem (CID 126639192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).