acetaldehyde;(ethylideneamino)methanamine;N-[(ethylideneamino)methyl]ethanimine;methanediamine

C19H44N6O5 — CID 158477776

IUPACacetaldehyde;(ethylideneamino)methanamine;N-[(ethylideneamino)methyl]ethanimine;methanediamine
SMILESCC=NCN.CC=NCN=CC.CC=O.CC=O.CC=O.CC=O.CC=O.NCN
InChIInChI=1S/C5H10N2.C3H8N2.5C2H4O.CH6N2/c1-3-6-5-7-4-2;1-2-5-3-4;5*1-2-3;2-1-3/h3-4H,5H2,1-2H3;2H,3-4H2,1H3;5*2H,1H3;1-3H2
InChIKeyHHDKNXBOKVNZBQ-UHFFFAOYSA-N
MW436.60 g/mol
LogP1.01
Rot. Bonds3

About acetaldehyde;(ethylideneamino)methanamine;N-[(ethylideneamino)methyl]ethanimine;methanediamine

acetaldehyde;(ethylideneamino)methanamine;N-[(ethylideneamino)methyl]ethanimine;methanediamine (PubChem CID 158477776) has the molecular formula C19H44N6O5 and a molecular weight of 436.60 g/mol. Its IUPAC name is acetaldehyde;(ethylideneamino)methanamine;N-[(ethylideneamino)methyl]ethanimine;methanediamine.

Molecular Properties

Compound Nameacetaldehyde;(ethylideneamino)methanamine;N-[(ethylideneamino)methyl]ethanimine;methanediamine
PubChem CID158477776
Molecular FormulaC19H44N6O5
Molecular Weight436.60 g/mol
Exact Mass436.34
IUPAC Nameacetaldehyde;(ethylideneamino)methanamine;N-[(ethylideneamino)methyl]ethanimine;methanediamine
SMILESCC=NCN.CC=NCN=CC.CC=O.CC=O.CC=O.CC=O.CC=O.NCN
InChIInChI=1S/C5H10N2.C3H8N2.5C2H4O.CH6N2/c1-3-6-5-7-4-2;1-2-5-3-4;5*1-2-3;2-1-3/h3-4H,5H2,1-2H3;2H,3-4H2,1H3;5*2H,1H3;1-3H2
InChIKeyHHDKNXBOKVNZBQ-UHFFFAOYSA-N
XLogP1.01
TPSA200.49 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze acetaldehyde;(ethylideneamino)methanamine;N-[(ethylideneamino)methyl]ethanimine;methanediamine 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 acetaldehyde;(ethylideneamino)methanamine;N-[(ethylideneamino)methyl]ethanimine;methanediamine?
The IUPAC name of acetaldehyde;(ethylideneamino)methanamine;N-[(ethylideneamino)methyl]ethanimine;methanediamine (CID 158477776) is acetaldehyde;(ethylideneamino)methanamine;N-[(ethylideneamino)methyl]ethanimine;methanediamine.
What is the SMILES notation for acetaldehyde;(ethylideneamino)methanamine;N-[(ethylideneamino)methyl]ethanimine;methanediamine?
The canonical SMILES for acetaldehyde;(ethylideneamino)methanamine;N-[(ethylideneamino)methyl]ethanimine;methanediamine is CC=NCN.CC=NCN=CC.CC=O.CC=O.CC=O.CC=O.CC=O.NCN.
What is the InChIKey of acetaldehyde;(ethylideneamino)methanamine;N-[(ethylideneamino)methyl]ethanimine;methanediamine?
The InChIKey is HHDKNXBOKVNZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.C3H8N2.5C2H4O.CH6N2/c1-3-6-5-7-4-2;1-2-5-3-4;5*1-2-3;2-1-3/h3-4H,5H2,1-2H3;2H,3-4H2,1H3;5*2H,1H3;1-3H2.
What are the key properties of acetaldehyde;(ethylideneamino)methanamine;N-[(ethylideneamino)methyl]ethanimine;methanediamine?
acetaldehyde;(ethylideneamino)methanamine;N-[(ethylideneamino)methyl]ethanimine;methanediamine has a molecular weight of 436.60 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;(ethylideneamino)methanamine;N-[(ethylideneamino)methyl]ethanimine;methanediamine is sourced from PubChem (CID 158477776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).