hex-1-en-3-yl(trimethyl)azanium

C9H20N+ — CID 19848205

IUPAChex-1-en-3-yl(trimethyl)azanium
SMILESC=CC(CCC)[N+](C)(C)C
InChIInChI=1S/C9H20N/c1-6-8-9(7-2)10(3,4)5/h7,9H,2,6,8H2,1,3-5H3/q+1
InChIKeyXNMVUEYXVYHCJA-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.05
Rot. Bonds4

About hex-1-en-3-yl(trimethyl)azanium

hex-1-en-3-yl(trimethyl)azanium (PubChem CID 19848205) has the molecular formula C9H20N+ and a molecular weight of 142.27 g/mol. Its IUPAC name is hex-1-en-3-yl(trimethyl)azanium.

Molecular Properties

Compound Namehex-1-en-3-yl(trimethyl)azanium
PubChem CID19848205
Molecular FormulaC9H20N+
Molecular Weight142.27 g/mol
Exact Mass142.16
IUPAC Namehex-1-en-3-yl(trimethyl)azanium
SMILESC=CC(CCC)[N+](C)(C)C
InChIInChI=1S/C9H20N/c1-6-8-9(7-2)10(3,4)5/h7,9H,2,6,8H2,1,3-5H3/q+1
InChIKeyXNMVUEYXVYHCJA-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hex-1-en-3-yl(trimethyl)azanium?
The IUPAC name of hex-1-en-3-yl(trimethyl)azanium (CID 19848205) is hex-1-en-3-yl(trimethyl)azanium.
What is the SMILES notation for hex-1-en-3-yl(trimethyl)azanium?
The canonical SMILES for hex-1-en-3-yl(trimethyl)azanium is C=CC(CCC)[N+](C)(C)C.
What is the InChIKey of hex-1-en-3-yl(trimethyl)azanium?
The InChIKey is XNMVUEYXVYHCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N/c1-6-8-9(7-2)10(3,4)5/h7,9H,2,6,8H2,1,3-5H3/q+1.
What are the key properties of hex-1-en-3-yl(trimethyl)azanium?
hex-1-en-3-yl(trimethyl)azanium has a molecular weight of 142.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-en-3-yl(trimethyl)azanium is sourced from PubChem (CID 19848205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).