ethyl-methyl-di(propan-2-yl)azanium;1-ethyl-1-methylpyrrolidin-1-ium

C16H38N2+2 — CID 90015524

IUPACethyl-methyl-di(propan-2-yl)azanium;1-ethyl-1-methylpyrrolidin-1-ium
SMILESCC[N+](C)(C(C)C)C(C)C.CC[N+]1(C)CCCC1
InChIInChI=1S/C9H22N.C7H16N/c1-7-10(6,8(2)3)9(4)5;1-3-8(2)6-4-5-7-8/h8-9H,7H2,1-6H3;3-7H2,1-2H3/q2*+1
InChIKeyZONKMCVVLNZFBR-UHFFFAOYSA-N
MW258.49 g/mol
LogP3.52
Rot. Bonds4

About ethyl-methyl-di(propan-2-yl)azanium;1-ethyl-1-methylpyrrolidin-1-ium

ethyl-methyl-di(propan-2-yl)azanium;1-ethyl-1-methylpyrrolidin-1-ium (PubChem CID 90015524) has the molecular formula C16H38N2+2 and a molecular weight of 258.49 g/mol. Its IUPAC name is ethyl-methyl-di(propan-2-yl)azanium;1-ethyl-1-methylpyrrolidin-1-ium.

Molecular Properties

Compound Nameethyl-methyl-di(propan-2-yl)azanium;1-ethyl-1-methylpyrrolidin-1-ium
PubChem CID90015524
Molecular FormulaC16H38N2+2
Molecular Weight258.49 g/mol
Exact Mass258.30
IUPAC Nameethyl-methyl-di(propan-2-yl)azanium;1-ethyl-1-methylpyrrolidin-1-ium
SMILESCC[N+](C)(C(C)C)C(C)C.CC[N+]1(C)CCCC1
InChIInChI=1S/C9H22N.C7H16N/c1-7-10(6,8(2)3)9(4)5;1-3-8(2)6-4-5-7-8/h8-9H,7H2,1-6H3;3-7H2,1-2H3/q2*+1
InChIKeyZONKMCVVLNZFBR-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethyl-methyl-di(propan-2-yl)azanium;1-ethyl-1-methylpyrrolidin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-di(propan-2-yl)azanium;1-ethyl-1-methylpyrrolidin-1-ium?
The IUPAC name of ethyl-methyl-di(propan-2-yl)azanium;1-ethyl-1-methylpyrrolidin-1-ium (CID 90015524) is ethyl-methyl-di(propan-2-yl)azanium;1-ethyl-1-methylpyrrolidin-1-ium.
What is the SMILES notation for ethyl-methyl-di(propan-2-yl)azanium;1-ethyl-1-methylpyrrolidin-1-ium?
The canonical SMILES for ethyl-methyl-di(propan-2-yl)azanium;1-ethyl-1-methylpyrrolidin-1-ium is CC[N+](C)(C(C)C)C(C)C.CC[N+]1(C)CCCC1.
What is the InChIKey of ethyl-methyl-di(propan-2-yl)azanium;1-ethyl-1-methylpyrrolidin-1-ium?
The InChIKey is ZONKMCVVLNZFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N.C7H16N/c1-7-10(6,8(2)3)9(4)5;1-3-8(2)6-4-5-7-8/h8-9H,7H2,1-6H3;3-7H2,1-2H3/q2*+1.
What are the key properties of ethyl-methyl-di(propan-2-yl)azanium;1-ethyl-1-methylpyrrolidin-1-ium?
ethyl-methyl-di(propan-2-yl)azanium;1-ethyl-1-methylpyrrolidin-1-ium has a molecular weight of 258.49 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-di(propan-2-yl)azanium;1-ethyl-1-methylpyrrolidin-1-ium is sourced from PubChem (CID 90015524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).