ethyl-methyl-(2-methylpropyl)-propan-2-ylazanium

C10H24N+ — CID 19814723

IUPACethyl-methyl-(2-methylpropyl)-propan-2-ylazanium
SMILESCC[N+](C)(CC(C)C)C(C)C
InChIInChI=1S/C10H24N/c1-7-11(6,10(4)5)8-9(2)3/h9-10H,7-8H2,1-6H3/q+1
InChIKeyLTSGFDODSRITHV-UHFFFAOYSA-N
MW158.31 g/mol
LogP2.52
Rot. Bonds4

About ethyl-methyl-(2-methylpropyl)-propan-2-ylazanium

ethyl-methyl-(2-methylpropyl)-propan-2-ylazanium (PubChem CID 19814723) has the molecular formula C10H24N+ and a molecular weight of 158.31 g/mol. Its IUPAC name is ethyl-methyl-(2-methylpropyl)-propan-2-ylazanium.

Molecular Properties

Compound Nameethyl-methyl-(2-methylpropyl)-propan-2-ylazanium
PubChem CID19814723
Molecular FormulaC10H24N+
Molecular Weight158.31 g/mol
Exact Mass158.19
IUPAC Nameethyl-methyl-(2-methylpropyl)-propan-2-ylazanium
SMILESCC[N+](C)(CC(C)C)C(C)C
InChIInChI=1S/C10H24N/c1-7-11(6,10(4)5)8-9(2)3/h9-10H,7-8H2,1-6H3/q+1
InChIKeyLTSGFDODSRITHV-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 52.52
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 ethyl-methyl-(2-methylpropyl)-propan-2-ylazanium?
The IUPAC name of ethyl-methyl-(2-methylpropyl)-propan-2-ylazanium (CID 19814723) is ethyl-methyl-(2-methylpropyl)-propan-2-ylazanium.
What is the SMILES notation for ethyl-methyl-(2-methylpropyl)-propan-2-ylazanium?
The canonical SMILES for ethyl-methyl-(2-methylpropyl)-propan-2-ylazanium is CC[N+](C)(CC(C)C)C(C)C.
What is the InChIKey of ethyl-methyl-(2-methylpropyl)-propan-2-ylazanium?
The InChIKey is LTSGFDODSRITHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N/c1-7-11(6,10(4)5)8-9(2)3/h9-10H,7-8H2,1-6H3/q+1.
What are the key properties of ethyl-methyl-(2-methylpropyl)-propan-2-ylazanium?
ethyl-methyl-(2-methylpropyl)-propan-2-ylazanium has a molecular weight of 158.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-(2-methylpropyl)-propan-2-ylazanium is sourced from PubChem (CID 19814723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).