bis(prop-2-enyl)azanium

C6H12N+ — CID 6992612

IUPACbis(prop-2-enyl)azanium
SMILESC=CC[NH2+]CC=C
InChIInChI=1S/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2/p+1
InChIKeyDYUWTXWIYMHBQS-UHFFFAOYSA-O
MW98.17 g/mol
LogP-0.08
Rot. Bonds4

About bis(prop-2-enyl)azanium

bis(prop-2-enyl)azanium (PubChem CID 6992612) has the molecular formula C6H12N+ and a molecular weight of 98.17 g/mol. Its IUPAC name is bis(prop-2-enyl)azanium.

Molecular Properties

Compound Namebis(prop-2-enyl)azanium
PubChem CID6992612
Molecular FormulaC6H12N+
Molecular Weight98.17 g/mol
Exact Mass98.10
IUPAC Namebis(prop-2-enyl)azanium
SMILESC=CC[NH2+]CC=C
InChIInChI=1S/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2/p+1
InChIKeyDYUWTXWIYMHBQS-UHFFFAOYSA-O
XLogP-0.08
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl)azanium?
The IUPAC name of bis(prop-2-enyl)azanium (CID 6992612) is bis(prop-2-enyl)azanium.
What is the SMILES notation for bis(prop-2-enyl)azanium?
The canonical SMILES for bis(prop-2-enyl)azanium is C=CC[NH2+]CC=C.
What is the InChIKey of bis(prop-2-enyl)azanium?
The InChIKey is DYUWTXWIYMHBQS-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2/p+1.
What are the key properties of bis(prop-2-enyl)azanium?
bis(prop-2-enyl)azanium has a molecular weight of 98.17 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl)azanium is sourced from PubChem (CID 6992612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).