acetaldehyde;methanamine;pentakis(N-methylethanimine)

C20H54N8O — CID 158823284

IUPACacetaldehyde;methanamine;pentakis(N-methylethanimine)
SMILESC/C=N/C.C/C=N/C.C/C=N/C.C/C=N/C.C/C=N/C.CC=O.CN.CN.CN
InChIInChI=1S/5C3H7N.C2H4O.3CH5N/c5*1-3-4-2;1-2-3;3*1-2/h5*3H,1-2H3;2H,1H3;3*2H2,1H3/b5*4-3+;;;;
InChIKeyIWDHAQZWAOCURY-QWBBXVKXSA-N
MW422.71 g/mol
LogP2.46
Rot. Bonds

About acetaldehyde;methanamine;pentakis(N-methylethanimine)

acetaldehyde;methanamine;pentakis(N-methylethanimine) (PubChem CID 158823284) has the molecular formula C20H54N8O and a molecular weight of 422.71 g/mol. Its IUPAC name is acetaldehyde;methanamine;pentakis(N-methylethanimine).

Molecular Properties

Compound Nameacetaldehyde;methanamine;pentakis(N-methylethanimine)
PubChem CID158823284
Molecular FormulaC20H54N8O
Molecular Weight422.71 g/mol
Exact Mass422.44
IUPAC Nameacetaldehyde;methanamine;pentakis(N-methylethanimine)
SMILESC/C=N/C.C/C=N/C.C/C=N/C.C/C=N/C.C/C=N/C.CC=O.CN.CN.CN
InChIInChI=1S/5C3H7N.C2H4O.3CH5N/c5*1-3-4-2;1-2-3;3*1-2/h5*3H,1-2H3;2H,1H3;3*2H2,1H3/b5*4-3+;;;;
InChIKeyIWDHAQZWAOCURY-QWBBXVKXSA-N
XLogP2.46
TPSA156.93 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.71
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

acetaldehyde
CID 158130567
acetaldehyde;azane;ethane;methanamine;methane
CID 161031080
acetaldehyde;azane
CID 158638397
acetaldehyde;stibane
CID 173001465
acetaldehyde;germane
CID 173117793
acetaldehyde;gold
CID 173056569
acetaldehyde;bismuthane
CID 173068240
acetaldehyde;manganese
CID 172998417
buta-1,3-diene;ethane;N-methylethanimine
CID 143431642
acetaldehyde;methanol
CID 19366238
potassium;acetaldehyde;chloride
CID 174943884
strontium;acetaldehyde;hydride
CID 173047078

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;methanamine;pentakis(N-methylethanimine)?
The IUPAC name of acetaldehyde;methanamine;pentakis(N-methylethanimine) (CID 158823284) is acetaldehyde;methanamine;pentakis(N-methylethanimine).
What is the SMILES notation for acetaldehyde;methanamine;pentakis(N-methylethanimine)?
The canonical SMILES for acetaldehyde;methanamine;pentakis(N-methylethanimine) is C/C=N/C.C/C=N/C.C/C=N/C.C/C=N/C.C/C=N/C.CC=O.CN.CN.CN.
What is the InChIKey of acetaldehyde;methanamine;pentakis(N-methylethanimine)?
The InChIKey is IWDHAQZWAOCURY-QWBBXVKXSA-N. The full InChI is InChI=1S/5C3H7N.C2H4O.3CH5N/c5*1-3-4-2;1-2-3;3*1-2/h5*3H,1-2H3;2H,1H3;3*2H2,1H3/b5*4-3+;;;;.
What are the key properties of acetaldehyde;methanamine;pentakis(N-methylethanimine)?
acetaldehyde;methanamine;pentakis(N-methylethanimine) has a molecular weight of 422.71 g/mol, XLogP of 2.46, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;methanamine;pentakis(N-methylethanimine) is sourced from PubChem (CID 158823284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).