acetaldehyde;ethanamine;ethane;propane

C14H40N2O — CID 158850439

IUPACacetaldehyde;ethanamine;ethane;propane
SMILESCC.CC=O.CCC.CCC.CCN.CCN
InChIInChI=1S/2C3H8.2C2H7N.C2H4O.C2H6/c2*1-3-2;3*1-2-3;1-2/h2*3H2,1-2H3;2*2-3H2,1H3;2H,1H3;1-2H3
InChIKeyIZJNYFLSLLBLHU-UHFFFAOYSA-N
MW252.49 g/mol
LogP3.99
Rot. Bonds

About acetaldehyde;ethanamine;ethane;propane

acetaldehyde;ethanamine;ethane;propane (PubChem CID 158850439) has the molecular formula C14H40N2O and a molecular weight of 252.49 g/mol. Its IUPAC name is acetaldehyde;ethanamine;ethane;propane.

Molecular Properties

Compound Nameacetaldehyde;ethanamine;ethane;propane
PubChem CID158850439
Molecular FormulaC14H40N2O
Molecular Weight252.49 g/mol
Exact Mass252.31
IUPAC Nameacetaldehyde;ethanamine;ethane;propane
SMILESCC.CC=O.CCC.CCC.CCN.CCN
InChIInChI=1S/2C3H8.2C2H7N.C2H4O.C2H6/c2*1-3-2;3*1-2-3;1-2/h2*3H2,1-2H3;2*2-3H2,1H3;2H,1H3;1-2H3
InChIKeyIZJNYFLSLLBLHU-UHFFFAOYSA-N
XLogP3.99
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetaldehyde;1-aminopropan-2-one;ethane;propane
CID 156809732
ethanamine;ethane
CID 142339743
ethanamine;ethane
CID 22406574
formamide;propane
CID 157485798
acetaldehyde;ethane;methane
CID 159605506
acetaldehyde
CID 158130567
ethanamine;prop-1-ene
CID 142862814
acetaldehyde;azane;ethane;methanamine;methane
CID 161031080
2-aminoacetaldehyde;molecular hydrogen;propane
CID 162518471
acetaldehyde;2-aminoethanethiol
CID 159451967
CID 158103983
CID 158103983
ethanamine;ethane;ethane-1,2-diamine
CID 144954036

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethanamine;ethane;propane?
The IUPAC name of acetaldehyde;ethanamine;ethane;propane (CID 158850439) is acetaldehyde;ethanamine;ethane;propane.
What is the SMILES notation for acetaldehyde;ethanamine;ethane;propane?
The canonical SMILES for acetaldehyde;ethanamine;ethane;propane is CC.CC=O.CCC.CCC.CCN.CCN.
What is the InChIKey of acetaldehyde;ethanamine;ethane;propane?
The InChIKey is IZJNYFLSLLBLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8.2C2H7N.C2H4O.C2H6/c2*1-3-2;3*1-2-3;1-2/h2*3H2,1-2H3;2*2-3H2,1H3;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;ethanamine;ethane;propane?
acetaldehyde;ethanamine;ethane;propane has a molecular weight of 252.49 g/mol, XLogP of 3.99, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethanamine;ethane;propane is sourced from PubChem (CID 158850439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).