ethyl-dimethyl-(2-methyl-3-propylcyclopropyl)azanium

C11H24N+ — CID 123368150

IUPACethyl-dimethyl-(2-methyl-3-propylcyclopropyl)azanium
SMILESCCCC1C(C)C1[N+](C)(C)CC
InChIInChI=1S/C11H24N/c1-6-8-10-9(3)11(10)12(4,5)7-2/h9-11H,6-8H2,1-5H3/q+1
InChIKeyNGEHQFZVKMULEZ-UHFFFAOYSA-N
MW170.32 g/mol
LogP2.52
Rot. Bonds4

About ethyl-dimethyl-(2-methyl-3-propylcyclopropyl)azanium

ethyl-dimethyl-(2-methyl-3-propylcyclopropyl)azanium (PubChem CID 123368150) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is ethyl-dimethyl-(2-methyl-3-propylcyclopropyl)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(2-methyl-3-propylcyclopropyl)azanium
PubChem CID123368150
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Nameethyl-dimethyl-(2-methyl-3-propylcyclopropyl)azanium
SMILESCCCC1C(C)C1[N+](C)(C)CC
InChIInChI=1S/C11H24N/c1-6-8-10-9(3)11(10)12(4,5)7-2/h9-11H,6-8H2,1-5H3/q+1
InChIKeyNGEHQFZVKMULEZ-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
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-dimethyl-(2-methyl-3-propylcyclopropyl)azanium?
The IUPAC name of ethyl-dimethyl-(2-methyl-3-propylcyclopropyl)azanium (CID 123368150) is ethyl-dimethyl-(2-methyl-3-propylcyclopropyl)azanium.
What is the SMILES notation for ethyl-dimethyl-(2-methyl-3-propylcyclopropyl)azanium?
The canonical SMILES for ethyl-dimethyl-(2-methyl-3-propylcyclopropyl)azanium is CCCC1C(C)C1[N+](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-(2-methyl-3-propylcyclopropyl)azanium?
The InChIKey is NGEHQFZVKMULEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N/c1-6-8-10-9(3)11(10)12(4,5)7-2/h9-11H,6-8H2,1-5H3/q+1.
What are the key properties of ethyl-dimethyl-(2-methyl-3-propylcyclopropyl)azanium?
ethyl-dimethyl-(2-methyl-3-propylcyclopropyl)azanium has a molecular weight of 170.32 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-dimethyl-(2-methyl-3-propylcyclopropyl)azanium is sourced from PubChem (CID 123368150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).