acetaldehyde;methanamine;propane

C6H17NO — CID 90903867

IUPACacetaldehyde;methanamine;propane
SMILESCC=O.CCC.CN
InChIInChI=1S/C3H8.C2H4O.CH5N/c1-3-2;1-2-3;1-2/h3H2,1-2H3;2H,1H3;2H2,1H3
InChIKeyZRUXFZIROSPMHX-UHFFFAOYSA-N
MW119.21 g/mol
LogP1.20
Rot. Bonds

About acetaldehyde;methanamine;propane

acetaldehyde;methanamine;propane (PubChem CID 90903867) has the molecular formula C6H17NO and a molecular weight of 119.21 g/mol. Its IUPAC name is acetaldehyde;methanamine;propane.

Molecular Properties

Compound Nameacetaldehyde;methanamine;propane
PubChem CID90903867
Molecular FormulaC6H17NO
Molecular Weight119.21 g/mol
Exact Mass119.13
IUPAC Nameacetaldehyde;methanamine;propane
SMILESCC=O.CCC.CN
InChIInChI=1S/C3H8.C2H4O.CH5N/c1-3-2;1-2-3;1-2/h3H2,1-2H3;2H,1H3;2H2,1H3
InChIKeyZRUXFZIROSPMHX-UHFFFAOYSA-N
XLogP1.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;methanamine;propane?
The IUPAC name of acetaldehyde;methanamine;propane (CID 90903867) is acetaldehyde;methanamine;propane.
What is the SMILES notation for acetaldehyde;methanamine;propane?
The canonical SMILES for acetaldehyde;methanamine;propane is CC=O.CCC.CN.
What is the InChIKey of acetaldehyde;methanamine;propane?
The InChIKey is ZRUXFZIROSPMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C2H4O.CH5N/c1-3-2;1-2-3;1-2/h3H2,1-2H3;2H,1H3;2H2,1H3.
What are the key properties of acetaldehyde;methanamine;propane?
acetaldehyde;methanamine;propane has a molecular weight of 119.21 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;methanamine;propane is sourced from PubChem (CID 90903867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).