methyl(2,3,4-trimethylnon-3-en-2-yl)azanium chloride

C13H28ClN — CID 139758911

IUPACmethyl(2,3,4-trimethylnon-3-en-2-yl)azanium chloride
SMILESCCCCCC(C)=C(C)C(C)(C)[NH2+]C.[Cl-]
InChIInChI=1S/C13H27N.ClH/c1-7-8-9-10-11(2)12(3)13(4,5)14-6;/h14H,7-10H2,1-6H3;1H
InChIKeyJUEVDNXHQXUWFI-UHFFFAOYSA-N
MW233.83 g/mol
LogP-0.12
Rot. Bonds6

About methyl(2,3,4-trimethylnon-3-en-2-yl)azanium chloride

methyl(2,3,4-trimethylnon-3-en-2-yl)azanium chloride (PubChem CID 139758911) has the molecular formula C13H28ClN and a molecular weight of 233.83 g/mol. Its IUPAC name is methyl(2,3,4-trimethylnon-3-en-2-yl)azanium chloride.

Molecular Properties

Compound Namemethyl(2,3,4-trimethylnon-3-en-2-yl)azanium chloride
PubChem CID139758911
Molecular FormulaC13H28ClN
Molecular Weight233.83 g/mol
Exact Mass233.19
IUPAC Namemethyl(2,3,4-trimethylnon-3-en-2-yl)azanium chloride
SMILESCCCCCC(C)=C(C)C(C)(C)[NH2+]C.[Cl-]
InChIInChI=1S/C13H27N.ClH/c1-7-8-9-10-11(2)12(3)13(4,5)14-6;/h14H,7-10H2,1-6H3;1H
InChIKeyJUEVDNXHQXUWFI-UHFFFAOYSA-N
XLogP-0.12
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.83
LogP ≤ 5-0.12
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 methyl(2,3,4-trimethylnon-3-en-2-yl)azanium chloride?
The IUPAC name of methyl(2,3,4-trimethylnon-3-en-2-yl)azanium chloride (CID 139758911) is methyl(2,3,4-trimethylnon-3-en-2-yl)azanium chloride.
What is the SMILES notation for methyl(2,3,4-trimethylnon-3-en-2-yl)azanium chloride?
The canonical SMILES for methyl(2,3,4-trimethylnon-3-en-2-yl)azanium chloride is CCCCCC(C)=C(C)C(C)(C)[NH2+]C.[Cl-].
What is the InChIKey of methyl(2,3,4-trimethylnon-3-en-2-yl)azanium chloride?
The InChIKey is JUEVDNXHQXUWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.ClH/c1-7-8-9-10-11(2)12(3)13(4,5)14-6;/h14H,7-10H2,1-6H3;1H.
What are the key properties of methyl(2,3,4-trimethylnon-3-en-2-yl)azanium chloride?
methyl(2,3,4-trimethylnon-3-en-2-yl)azanium chloride has a molecular weight of 233.83 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(2,3,4-trimethylnon-3-en-2-yl)azanium chloride is sourced from PubChem (CID 139758911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).