trimethyl-[2-(propan-2-ylamino)ethyl]azanium

C8H21N2+ — CID 20823833

IUPACtrimethyl-[2-(propan-2-ylamino)ethyl]azanium
SMILESCC(C)NCC[N+](C)(C)C
InChIInChI=1S/C8H21N2/c1-8(2)9-6-7-10(3,4)5/h8-9H,6-7H2,1-5H3/q+1
InChIKeyODKFPVLJAUVKHX-UHFFFAOYSA-N
MW145.27 g/mol
LogP0.69
Rot. Bonds4

About trimethyl-[2-(propan-2-ylamino)ethyl]azanium

trimethyl-[2-(propan-2-ylamino)ethyl]azanium (PubChem CID 20823833) has the molecular formula C8H21N2+ and a molecular weight of 145.27 g/mol. Its IUPAC name is trimethyl-[2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(propan-2-ylamino)ethyl]azanium
PubChem CID20823833
Molecular FormulaC8H21N2+
Molecular Weight145.27 g/mol
Exact Mass145.17
IUPAC Nametrimethyl-[2-(propan-2-ylamino)ethyl]azanium
SMILESCC(C)NCC[N+](C)(C)C
InChIInChI=1S/C8H21N2/c1-8(2)9-6-7-10(3,4)5/h8-9H,6-7H2,1-5H3/q+1
InChIKeyODKFPVLJAUVKHX-UHFFFAOYSA-N
XLogP0.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 trimethyl-[2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of trimethyl-[2-(propan-2-ylamino)ethyl]azanium (CID 20823833) is trimethyl-[2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for trimethyl-[2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for trimethyl-[2-(propan-2-ylamino)ethyl]azanium is CC(C)NCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is ODKFPVLJAUVKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N2/c1-8(2)9-6-7-10(3,4)5/h8-9H,6-7H2,1-5H3/q+1.
What are the key properties of trimethyl-[2-(propan-2-ylamino)ethyl]azanium?
trimethyl-[2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 145.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 20823833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).