triethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium

C12H30N2+2 — CID 166895994

IUPACtriethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium
SMILESCC[N+](CC)(CC)C(C)C[N+](C)(C)C
InChIInChI=1S/C12H30N2/c1-8-14(9-2,10-3)12(4)11-13(5,6)7/h12H,8-11H2,1-7H3/q+2
InChIKeyQQKHTQZYVVJHKM-UHFFFAOYSA-N
MW202.39 g/mol
LogP1.96
Rot. Bonds6

About triethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium

triethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium (PubChem CID 166895994) has the molecular formula C12H30N2+2 and a molecular weight of 202.39 g/mol. Its IUPAC name is triethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium.

Molecular Properties

Compound Nametriethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium
PubChem CID166895994
Molecular FormulaC12H30N2+2
Molecular Weight202.39 g/mol
Exact Mass202.24
IUPAC Nametriethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium
SMILESCC[N+](CC)(CC)C(C)C[N+](C)(C)C
InChIInChI=1S/C12H30N2/c1-8-14(9-2,10-3)12(4)11-13(5,6)7/h12H,8-11H2,1-7H3/q+2
InChIKeyQQKHTQZYVVJHKM-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze triethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium with MolForge

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

Launch Full Analysis

Related Compounds

triethyl(hexan-2-yl)azanium
CID 88691011
diethyl-methyl-[1-[1-(trimethylazaniumyl)propan-2-yloxy]ethyl]azanium
CID 21119358
trimethyl(2-methylbutyl)azanium chloride
CID 159075449
methane;trimethyl(2-methylbutyl)azanium
CID 162147033
triethyl(hexadecan-2-yl)azanium
CID 87135879
triethyl(octan-2-yl)azanium
CID 57165770
ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium
CID 161494736
[(2R)-2-aminopropyl]-trimethylazanium
CID 89262982
triethyl(3-methylbutan-2-yl)azanium
CID 178182699
(2-ethyl-3-methylpentyl)-trimethylazanium
CID 88887773
6-bromohexan-2-yl(triethyl)azanium bromide
CID 175213397
ethyl(trimethyl)azanium;dihydrate
CID 174491612

Frequently Asked Questions

What is the IUPAC name of triethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium?
The IUPAC name of triethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium (CID 166895994) is triethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium.
What is the SMILES notation for triethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium?
The canonical SMILES for triethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium is CC[N+](CC)(CC)C(C)C[N+](C)(C)C.
What is the InChIKey of triethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium?
The InChIKey is QQKHTQZYVVJHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2/c1-8-14(9-2,10-3)12(4)11-13(5,6)7/h12H,8-11H2,1-7H3/q+2.
What are the key properties of triethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium?
triethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium has a molecular weight of 202.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium is sourced from PubChem (CID 166895994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).