trimethyl(2-prop-2-enylpent-4-enyl)azanium

C11H22N+ — CID 11715401

IUPACtrimethyl(2-prop-2-enylpent-4-enyl)azanium
SMILESC=CCC(CC=C)C[N+](C)(C)C
InChIInChI=1S/C11H22N/c1-6-8-11(9-7-2)10-12(3,4)5/h6-7,11H,1-2,8-10H2,3-5H3/q+1
InChIKeyTUAKOKJNQCNLAA-UHFFFAOYSA-N
MW168.30 g/mol
LogP2.46
Rot. Bonds6

About trimethyl(2-prop-2-enylpent-4-enyl)azanium

trimethyl(2-prop-2-enylpent-4-enyl)azanium (PubChem CID 11715401) has the molecular formula C11H22N+ and a molecular weight of 168.30 g/mol. Its IUPAC name is trimethyl(2-prop-2-enylpent-4-enyl)azanium.

Molecular Properties

Compound Nametrimethyl(2-prop-2-enylpent-4-enyl)azanium
PubChem CID11715401
Molecular FormulaC11H22N+
Molecular Weight168.30 g/mol
Exact Mass168.17
IUPAC Nametrimethyl(2-prop-2-enylpent-4-enyl)azanium
SMILESC=CCC(CC=C)C[N+](C)(C)C
InChIInChI=1S/C11H22N/c1-6-8-11(9-7-2)10-12(3,4)5/h6-7,11H,1-2,8-10H2,3-5H3/q+1
InChIKeyTUAKOKJNQCNLAA-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 52.46
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 trimethyl(2-prop-2-enylpent-4-enyl)azanium?
The IUPAC name of trimethyl(2-prop-2-enylpent-4-enyl)azanium (CID 11715401) is trimethyl(2-prop-2-enylpent-4-enyl)azanium.
What is the SMILES notation for trimethyl(2-prop-2-enylpent-4-enyl)azanium?
The canonical SMILES for trimethyl(2-prop-2-enylpent-4-enyl)azanium is C=CCC(CC=C)C[N+](C)(C)C.
What is the InChIKey of trimethyl(2-prop-2-enylpent-4-enyl)azanium?
The InChIKey is TUAKOKJNQCNLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N/c1-6-8-11(9-7-2)10-12(3,4)5/h6-7,11H,1-2,8-10H2,3-5H3/q+1.
What are the key properties of trimethyl(2-prop-2-enylpent-4-enyl)azanium?
trimethyl(2-prop-2-enylpent-4-enyl)azanium has a molecular weight of 168.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-prop-2-enylpent-4-enyl)azanium is sourced from PubChem (CID 11715401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).