methylidene-prop-1-enyl-propylazanium

C7H14N+ — CID 91604332

IUPACmethylidene-prop-1-enyl-propylazanium
SMILESC=[N+](C=CC)CCC
InChIInChI=1S/C7H14N/c1-4-6-8(3)7-5-2/h4,6H,3,5,7H2,1-2H3/q+1
InChIKeyKONRREAYSZHOIF-UHFFFAOYSA-N
MW112.20 g/mol
LogP1.64
Rot. Bonds3

About methylidene-prop-1-enyl-propylazanium

methylidene-prop-1-enyl-propylazanium (PubChem CID 91604332) has the molecular formula C7H14N+ and a molecular weight of 112.20 g/mol. Its IUPAC name is methylidene-prop-1-enyl-propylazanium.

Molecular Properties

Compound Namemethylidene-prop-1-enyl-propylazanium
PubChem CID91604332
Molecular FormulaC7H14N+
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC Namemethylidene-prop-1-enyl-propylazanium
SMILESC=[N+](C=CC)CCC
InChIInChI=1S/C7H14N/c1-4-6-8(3)7-5-2/h4,6H,3,5,7H2,1-2H3/q+1
InChIKeyKONRREAYSZHOIF-UHFFFAOYSA-N
XLogP1.64
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 51.64
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 methylidene-prop-1-enyl-propylazanium?
The IUPAC name of methylidene-prop-1-enyl-propylazanium (CID 91604332) is methylidene-prop-1-enyl-propylazanium.
What is the SMILES notation for methylidene-prop-1-enyl-propylazanium?
The canonical SMILES for methylidene-prop-1-enyl-propylazanium is C=[N+](C=CC)CCC.
What is the InChIKey of methylidene-prop-1-enyl-propylazanium?
The InChIKey is KONRREAYSZHOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N/c1-4-6-8(3)7-5-2/h4,6H,3,5,7H2,1-2H3/q+1.
What are the key properties of methylidene-prop-1-enyl-propylazanium?
methylidene-prop-1-enyl-propylazanium has a molecular weight of 112.20 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-prop-1-enyl-propylazanium is sourced from PubChem (CID 91604332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).