ethenyl-dimethyl-(2-methylbutyl)azanium

C9H20N+ — CID 59069008

IUPACethenyl-dimethyl-(2-methylbutyl)azanium
SMILESC=C[N+](C)(C)CC(C)CC
InChIInChI=1S/C9H20N/c1-6-9(3)8-10(4,5)7-2/h7,9H,2,6,8H2,1,3-5H3/q+1
InChIKeyKDPZAXNMQZXSFE-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.25
Rot. Bonds4

About ethenyl-dimethyl-(2-methylbutyl)azanium

ethenyl-dimethyl-(2-methylbutyl)azanium (PubChem CID 59069008) has the molecular formula C9H20N+ and a molecular weight of 142.27 g/mol. Its IUPAC name is ethenyl-dimethyl-(2-methylbutyl)azanium.

Molecular Properties

Compound Nameethenyl-dimethyl-(2-methylbutyl)azanium
PubChem CID59069008
Molecular FormulaC9H20N+
Molecular Weight142.27 g/mol
Exact Mass142.16
IUPAC Nameethenyl-dimethyl-(2-methylbutyl)azanium
SMILESC=C[N+](C)(C)CC(C)CC
InChIInChI=1S/C9H20N/c1-6-9(3)8-10(4,5)7-2/h7,9H,2,6,8H2,1,3-5H3/q+1
InChIKeyKDPZAXNMQZXSFE-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl-dimethyl-(2-methylbutyl)azanium?
The IUPAC name of ethenyl-dimethyl-(2-methylbutyl)azanium (CID 59069008) is ethenyl-dimethyl-(2-methylbutyl)azanium.
What is the SMILES notation for ethenyl-dimethyl-(2-methylbutyl)azanium?
The canonical SMILES for ethenyl-dimethyl-(2-methylbutyl)azanium is C=C[N+](C)(C)CC(C)CC.
What is the InChIKey of ethenyl-dimethyl-(2-methylbutyl)azanium?
The InChIKey is KDPZAXNMQZXSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N/c1-6-9(3)8-10(4,5)7-2/h7,9H,2,6,8H2,1,3-5H3/q+1.
What are the key properties of ethenyl-dimethyl-(2-methylbutyl)azanium?
ethenyl-dimethyl-(2-methylbutyl)azanium has a molecular weight of 142.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-dimethyl-(2-methylbutyl)azanium is sourced from PubChem (CID 59069008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).