dimethyl(propylidene)azanium;propane

C8H20N+ — CID 174533960

IUPACdimethyl(propylidene)azanium;propane
SMILESCCC.CCC=[N+](C)C
InChIInChI=1S/C5H12N.C3H8/c1-4-5-6(2)3;1-3-2/h5H,4H2,1-3H3;3H2,1-2H3/q+1;
InChIKeyJDVMFVFJRLIKDE-UHFFFAOYSA-N
MW130.25 g/mol
LogP2.16
Rot. Bonds1

About dimethyl(propylidene)azanium;propane

dimethyl(propylidene)azanium;propane (PubChem CID 174533960) has the molecular formula C8H20N+ and a molecular weight of 130.25 g/mol. Its IUPAC name is dimethyl(propylidene)azanium;propane.

Molecular Properties

Compound Namedimethyl(propylidene)azanium;propane
PubChem CID174533960
Molecular FormulaC8H20N+
Molecular Weight130.25 g/mol
Exact Mass130.16
IUPAC Namedimethyl(propylidene)azanium;propane
SMILESCCC.CCC=[N+](C)C
InChIInChI=1S/C5H12N.C3H8/c1-4-5-6(2)3;1-3-2/h5H,4H2,1-3H3;3H2,1-2H3/q+1;
InChIKeyJDVMFVFJRLIKDE-UHFFFAOYSA-N
XLogP2.16
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl(propylidene)azanium;propane?
The IUPAC name of dimethyl(propylidene)azanium;propane (CID 174533960) is dimethyl(propylidene)azanium;propane.
What is the SMILES notation for dimethyl(propylidene)azanium;propane?
The canonical SMILES for dimethyl(propylidene)azanium;propane is CCC.CCC=[N+](C)C.
What is the InChIKey of dimethyl(propylidene)azanium;propane?
The InChIKey is JDVMFVFJRLIKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N.C3H8/c1-4-5-6(2)3;1-3-2/h5H,4H2,1-3H3;3H2,1-2H3/q+1;.
What are the key properties of dimethyl(propylidene)azanium;propane?
dimethyl(propylidene)azanium;propane has a molecular weight of 130.25 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(propylidene)azanium;propane is sourced from PubChem (CID 174533960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).