acetaldehyde;azane;ethane;methanamine;methane

C16H59N3O — CID 161031080

IUPACacetaldehyde;azane;ethane;methanamine;methane
SMILESC.C.C.C.C.C.CC.CC.CC.CC=O.CN.CN.N
InChIInChI=1S/C2H4O.3C2H6.2CH5N.6CH4.H3N/c1-2-3;5*1-2;;;;;;;/h2H,1H3;3*1-2H3;2*2H2,1H3;6*1H4;1H3
InChIKeyALEMDEOIERTKSS-UHFFFAOYSA-N
MW309.67 g/mol
LogP6.41
Rot. Bonds

About acetaldehyde;azane;ethane;methanamine;methane

acetaldehyde;azane;ethane;methanamine;methane (PubChem CID 161031080) has the molecular formula C16H59N3O and a molecular weight of 309.67 g/mol. Its IUPAC name is acetaldehyde;azane;ethane;methanamine;methane.

Molecular Properties

Compound Nameacetaldehyde;azane;ethane;methanamine;methane
PubChem CID161031080
Molecular FormulaC16H59N3O
Molecular Weight309.67 g/mol
Exact Mass309.47
IUPAC Nameacetaldehyde;azane;ethane;methanamine;methane
SMILESC.C.C.C.C.C.CC.CC.CC.CC=O.CN.CN.N
InChIInChI=1S/C2H4O.3C2H6.2CH5N.6CH4.H3N/c1-2-3;5*1-2;;;;;;;/h2H,1H3;3*1-2H3;2*2H2,1H3;6*1H4;1H3
InChIKeyALEMDEOIERTKSS-UHFFFAOYSA-N
XLogP6.41
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.67
LogP ≤ 56.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;azane;ethane;methanamine;methane?
The IUPAC name of acetaldehyde;azane;ethane;methanamine;methane (CID 161031080) is acetaldehyde;azane;ethane;methanamine;methane.
What is the SMILES notation for acetaldehyde;azane;ethane;methanamine;methane?
The canonical SMILES for acetaldehyde;azane;ethane;methanamine;methane is C.C.C.C.C.C.CC.CC.CC.CC=O.CN.CN.N.
What is the InChIKey of acetaldehyde;azane;ethane;methanamine;methane?
The InChIKey is ALEMDEOIERTKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.3C2H6.2CH5N.6CH4.H3N/c1-2-3;5*1-2;;;;;;;/h2H,1H3;3*1-2H3;2*2H2,1H3;6*1H4;1H3.
What are the key properties of acetaldehyde;azane;ethane;methanamine;methane?
acetaldehyde;azane;ethane;methanamine;methane has a molecular weight of 309.67 g/mol, XLogP of 6.41, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;azane;ethane;methanamine;methane is sourced from PubChem (CID 161031080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).