trimethyl(2,4,4-trimethylhex-5-en-2-yl)azanium

C12H26N+ — CID 163957759

IUPACtrimethyl(2,4,4-trimethylhex-5-en-2-yl)azanium
SMILESC=CC(C)(C)CC(C)(C)[N+](C)(C)C
InChIInChI=1S/C12H26N/c1-9-11(2,3)10-12(4,5)13(6,7)8/h9H,1,10H2,2-8H3/q+1
InChIKeySEWQWTJKJNKAFT-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.07
Rot. Bonds4

About trimethyl(2,4,4-trimethylhex-5-en-2-yl)azanium

trimethyl(2,4,4-trimethylhex-5-en-2-yl)azanium (PubChem CID 163957759) has the molecular formula C12H26N+ and a molecular weight of 184.35 g/mol. Its IUPAC name is trimethyl(2,4,4-trimethylhex-5-en-2-yl)azanium.

Molecular Properties

Compound Nametrimethyl(2,4,4-trimethylhex-5-en-2-yl)azanium
PubChem CID163957759
Molecular FormulaC12H26N+
Molecular Weight184.35 g/mol
Exact Mass184.21
IUPAC Nametrimethyl(2,4,4-trimethylhex-5-en-2-yl)azanium
SMILESC=CC(C)(C)CC(C)(C)[N+](C)(C)C
InChIInChI=1S/C12H26N/c1-9-11(2,3)10-12(4,5)13(6,7)8/h9H,1,10H2,2-8H3/q+1
InChIKeySEWQWTJKJNKAFT-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.07
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(2,4,4-trimethylhex-5-en-2-yl)azanium?
The IUPAC name of trimethyl(2,4,4-trimethylhex-5-en-2-yl)azanium (CID 163957759) is trimethyl(2,4,4-trimethylhex-5-en-2-yl)azanium.
What is the SMILES notation for trimethyl(2,4,4-trimethylhex-5-en-2-yl)azanium?
The canonical SMILES for trimethyl(2,4,4-trimethylhex-5-en-2-yl)azanium is C=CC(C)(C)CC(C)(C)[N+](C)(C)C.
What is the InChIKey of trimethyl(2,4,4-trimethylhex-5-en-2-yl)azanium?
The InChIKey is SEWQWTJKJNKAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N/c1-9-11(2,3)10-12(4,5)13(6,7)8/h9H,1,10H2,2-8H3/q+1.
What are the key properties of trimethyl(2,4,4-trimethylhex-5-en-2-yl)azanium?
trimethyl(2,4,4-trimethylhex-5-en-2-yl)azanium has a molecular weight of 184.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2,4,4-trimethylhex-5-en-2-yl)azanium is sourced from PubChem (CID 163957759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).