2-[di(propan-2-yl)amino]ethyl-trimethylazanium

C11H27N2+ — CID 91110629

IUPAC2-[di(propan-2-yl)amino]ethyl-trimethylazanium
SMILESCC(C)N(CC[N+](C)(C)C)C(C)C
InChIInChI=1S/C11H27N2/c1-10(2)12(11(3)4)8-9-13(5,6)7/h10-11H,8-9H2,1-7H3/q+1
InChIKeyZPBXXEDUQITNJG-UHFFFAOYSA-N
MW187.35 g/mol
LogP1.81
Rot. Bonds5

About 2-[di(propan-2-yl)amino]ethyl-trimethylazanium

2-[di(propan-2-yl)amino]ethyl-trimethylazanium (PubChem CID 91110629) has the molecular formula C11H27N2+ and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]ethyl-trimethylazanium
PubChem CID91110629
Molecular FormulaC11H27N2+
Molecular Weight187.35 g/mol
Exact Mass187.22
IUPAC Name2-[di(propan-2-yl)amino]ethyl-trimethylazanium
SMILESCC(C)N(CC[N+](C)(C)C)C(C)C
InChIInChI=1S/C11H27N2/c1-10(2)12(11(3)4)8-9-13(5,6)7/h10-11H,8-9H2,1-7H3/q+1
InChIKeyZPBXXEDUQITNJG-UHFFFAOYSA-N
XLogP1.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 59309380
N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 58105681
2-[di(propan-2-yl)amino]ethanol;methane
CID 145105271
N-[2-[2-[di(propan-2-yl)amino]ethyl-dimethylsilyl]ethyl]-N-propan-2-ylpropan-2-amine
CID 152607551
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
azane;2-(dimethylamino)ethyl-trimethylazanium;chloride
CID 173362766
2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 87486817
1-N,1-N-di(propan-2-yl)butane-1,3-diamine
CID 57236538
N-propan-2-yl-N-(2-pyrrol-1-ylethyl)propan-2-amine
CID 43394776
ethane;N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 142040763
N',N'-di(propan-2-yl)ethane-1,2-diamine;ethane;molecular hydrogen
CID 142371506
N-[[di(propan-2-yl)amino]methyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 165377780

Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)amino]ethyl-trimethylazanium?
The IUPAC name of 2-[di(propan-2-yl)amino]ethyl-trimethylazanium (CID 91110629) is 2-[di(propan-2-yl)amino]ethyl-trimethylazanium.
What is the SMILES notation for 2-[di(propan-2-yl)amino]ethyl-trimethylazanium?
The canonical SMILES for 2-[di(propan-2-yl)amino]ethyl-trimethylazanium is CC(C)N(CC[N+](C)(C)C)C(C)C.
What is the InChIKey of 2-[di(propan-2-yl)amino]ethyl-trimethylazanium?
The InChIKey is ZPBXXEDUQITNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N2/c1-10(2)12(11(3)4)8-9-13(5,6)7/h10-11H,8-9H2,1-7H3/q+1.
What are the key properties of 2-[di(propan-2-yl)amino]ethyl-trimethylazanium?
2-[di(propan-2-yl)amino]ethyl-trimethylazanium has a molecular weight of 187.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]ethyl-trimethylazanium is sourced from PubChem (CID 91110629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).