acetaldehyde;1-aminopropan-2-one;ethane;propane

C12H31NO2 — CID 156809732

IUPACacetaldehyde;1-aminopropan-2-one;ethane;propane
SMILESCC.CC.CC(=O)CN.CC=O.CCC
InChIInChI=1S/C3H7NO.C3H8.C2H4O.2C2H6/c1-3(5)2-4;1-3-2;1-2-3;2*1-2/h2,4H2,1H3;3H2,1-2H3;2H,1H3;2*1-2H3
InChIKeyGNSUFSBEIIGMTC-UHFFFAOYSA-N
MW221.38 g/mol
LogP3.21
Rot. Bonds1

About acetaldehyde;1-aminopropan-2-one;ethane;propane

acetaldehyde;1-aminopropan-2-one;ethane;propane (PubChem CID 156809732) has the molecular formula C12H31NO2 and a molecular weight of 221.38 g/mol. Its IUPAC name is acetaldehyde;1-aminopropan-2-one;ethane;propane.

Molecular Properties

Compound Nameacetaldehyde;1-aminopropan-2-one;ethane;propane
PubChem CID156809732
Molecular FormulaC12H31NO2
Molecular Weight221.38 g/mol
Exact Mass221.24
IUPAC Nameacetaldehyde;1-aminopropan-2-one;ethane;propane
SMILESCC.CC.CC(=O)CN.CC=O.CCC
InChIInChI=1S/C3H7NO.C3H8.C2H4O.2C2H6/c1-3(5)2-4;1-3-2;1-2-3;2*1-2/h2,4H2,1H3;3H2,1-2H3;2H,1H3;2*1-2H3
InChIKeyGNSUFSBEIIGMTC-UHFFFAOYSA-N
XLogP3.21
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetaldehyde;1-aminopropan-2-one;ethane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetaldehyde;ethanamine;ethane;propane
CID 158850439
acetaldehyde;1-hydroxypropan-2-one
CID 159001588
butan-2-one;ethane;propane
CID 169173049
butan-2-one;ethane;methanamine
CID 172563476
butan-2-one;ethanamine
CID 160998240
ethane;tris(pentane-2,4-dione)
CID 158826280
butan-2-one;ethane
CID 158905935
acetaldehyde;methane;propan-2-one
CID 159068439
acetaldehyde;acetic acid;ethyl acetate
CID 158728597
ethane;(E)-2-methylbut-2-en-1-amine
CID 143126419
propane;propan-2-one;prop-1-ene
CID 160807834
1-aminopropan-2-one;aminourea
CID 157197448

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1-aminopropan-2-one;ethane;propane?
The IUPAC name of acetaldehyde;1-aminopropan-2-one;ethane;propane (CID 156809732) is acetaldehyde;1-aminopropan-2-one;ethane;propane.
What is the SMILES notation for acetaldehyde;1-aminopropan-2-one;ethane;propane?
The canonical SMILES for acetaldehyde;1-aminopropan-2-one;ethane;propane is CC.CC.CC(=O)CN.CC=O.CCC.
What is the InChIKey of acetaldehyde;1-aminopropan-2-one;ethane;propane?
The InChIKey is GNSUFSBEIIGMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C3H8.C2H4O.2C2H6/c1-3(5)2-4;1-3-2;1-2-3;2*1-2/h2,4H2,1H3;3H2,1-2H3;2H,1H3;2*1-2H3.
What are the key properties of acetaldehyde;1-aminopropan-2-one;ethane;propane?
acetaldehyde;1-aminopropan-2-one;ethane;propane has a molecular weight of 221.38 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-aminopropan-2-one;ethane;propane is sourced from PubChem (CID 156809732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).