hexyl-prop-1-enyl-propylideneazanium

C12H24N+ — CID 123312582

IUPAChexyl-prop-1-enyl-propylideneazanium
SMILESCC=C/[N+](=C\CC)CCCCCC
InChIInChI=1S/C12H24N/c1-4-7-8-9-12-13(10-5-2)11-6-3/h5,10-11H,4,6-9,12H2,1-3H3/q+1/b10-5?,13-11+
InChIKeyNPQFLVNDJOASDB-ARNOELOUSA-N
MW182.33 g/mol
LogP3.59
Rot. Bonds7

About hexyl-prop-1-enyl-propylideneazanium

hexyl-prop-1-enyl-propylideneazanium (PubChem CID 123312582) has the molecular formula C12H24N+ and a molecular weight of 182.33 g/mol. Its IUPAC name is hexyl-prop-1-enyl-propylideneazanium.

Molecular Properties

Compound Namehexyl-prop-1-enyl-propylideneazanium
PubChem CID123312582
Molecular FormulaC12H24N+
Molecular Weight182.33 g/mol
Exact Mass182.19
IUPAC Namehexyl-prop-1-enyl-propylideneazanium
SMILESCC=C/[N+](=C\CC)CCCCCC
InChIInChI=1S/C12H24N/c1-4-7-8-9-12-13(10-5-2)11-6-3/h5,10-11H,4,6-9,12H2,1-3H3/q+1/b10-5?,13-11+
InChIKeyNPQFLVNDJOASDB-ARNOELOUSA-N
XLogP3.59
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 hexyl-prop-1-enyl-propylideneazanium?
The IUPAC name of hexyl-prop-1-enyl-propylideneazanium (CID 123312582) is hexyl-prop-1-enyl-propylideneazanium.
What is the SMILES notation for hexyl-prop-1-enyl-propylideneazanium?
The canonical SMILES for hexyl-prop-1-enyl-propylideneazanium is CC=C/[N+](=C\CC)CCCCCC.
What is the InChIKey of hexyl-prop-1-enyl-propylideneazanium?
The InChIKey is NPQFLVNDJOASDB-ARNOELOUSA-N. The full InChI is InChI=1S/C12H24N/c1-4-7-8-9-12-13(10-5-2)11-6-3/h5,10-11H,4,6-9,12H2,1-3H3/q+1/b10-5?,13-11+.
What are the key properties of hexyl-prop-1-enyl-propylideneazanium?
hexyl-prop-1-enyl-propylideneazanium has a molecular weight of 182.33 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-prop-1-enyl-propylideneazanium is sourced from PubChem (CID 123312582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).