methyl-methylidene-(3-methylpent-4-en-2-yl)azanium

C8H16N+ — CID 123931690

IUPACmethyl-methylidene-(3-methylpent-4-en-2-yl)azanium
SMILESC=CC(C)C(C)[N+](=C)C
InChIInChI=1S/C8H16N/c1-6-7(2)8(3)9(4)5/h6-8H,1,4H2,2-3,5H3/q+1
InChIKeyXJONJQPZHVQAMI-UHFFFAOYSA-N
MW126.22 g/mol
LogP1.54
Rot. Bonds3

About methyl-methylidene-(3-methylpent-4-en-2-yl)azanium

methyl-methylidene-(3-methylpent-4-en-2-yl)azanium (PubChem CID 123931690) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is methyl-methylidene-(3-methylpent-4-en-2-yl)azanium.

Molecular Properties

Compound Namemethyl-methylidene-(3-methylpent-4-en-2-yl)azanium
PubChem CID123931690
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Namemethyl-methylidene-(3-methylpent-4-en-2-yl)azanium
SMILESC=CC(C)C(C)[N+](=C)C
InChIInChI=1S/C8H16N/c1-6-7(2)8(3)9(4)5/h6-8H,1,4H2,2-3,5H3/q+1
InChIKeyXJONJQPZHVQAMI-UHFFFAOYSA-N
XLogP1.54
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-(3-methylpent-4-en-2-yl)azanium?
The IUPAC name of methyl-methylidene-(3-methylpent-4-en-2-yl)azanium (CID 123931690) is methyl-methylidene-(3-methylpent-4-en-2-yl)azanium.
What is the SMILES notation for methyl-methylidene-(3-methylpent-4-en-2-yl)azanium?
The canonical SMILES for methyl-methylidene-(3-methylpent-4-en-2-yl)azanium is C=CC(C)C(C)[N+](=C)C.
What is the InChIKey of methyl-methylidene-(3-methylpent-4-en-2-yl)azanium?
The InChIKey is XJONJQPZHVQAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N/c1-6-7(2)8(3)9(4)5/h6-8H,1,4H2,2-3,5H3/q+1.
What are the key properties of methyl-methylidene-(3-methylpent-4-en-2-yl)azanium?
methyl-methylidene-(3-methylpent-4-en-2-yl)azanium has a molecular weight of 126.22 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(3-methylpent-4-en-2-yl)azanium is sourced from PubChem (CID 123931690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).