1-(dimethylamino)ethyl-ethyl-dimethylazanium

C8H21N2+ — CID 126581656

IUPAC1-(dimethylamino)ethyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)C(C)N(C)C
InChIInChI=1S/C8H21N2/c1-7-10(5,6)8(2)9(3)4/h8H,7H2,1-6H3/q+1
InChIKeyCJPNTUGGVROOSM-UHFFFAOYSA-N
MW145.27 g/mol
LogP0.99
Rot. Bonds3

About 1-(dimethylamino)ethyl-ethyl-dimethylazanium

1-(dimethylamino)ethyl-ethyl-dimethylazanium (PubChem CID 126581656) has the molecular formula C8H21N2+ and a molecular weight of 145.27 g/mol. Its IUPAC name is 1-(dimethylamino)ethyl-ethyl-dimethylazanium.

Molecular Properties

Compound Name1-(dimethylamino)ethyl-ethyl-dimethylazanium
PubChem CID126581656
Molecular FormulaC8H21N2+
Molecular Weight145.27 g/mol
Exact Mass145.17
IUPAC Name1-(dimethylamino)ethyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)C(C)N(C)C
InChIInChI=1S/C8H21N2/c1-7-10(5,6)8(2)9(3)4/h8H,7H2,1-6H3/q+1
InChIKeyCJPNTUGGVROOSM-UHFFFAOYSA-N
XLogP0.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethyl-ethyl-dimethylazanium?
The IUPAC name of 1-(dimethylamino)ethyl-ethyl-dimethylazanium (CID 126581656) is 1-(dimethylamino)ethyl-ethyl-dimethylazanium.
What is the SMILES notation for 1-(dimethylamino)ethyl-ethyl-dimethylazanium?
The canonical SMILES for 1-(dimethylamino)ethyl-ethyl-dimethylazanium is CC[N+](C)(C)C(C)N(C)C.
What is the InChIKey of 1-(dimethylamino)ethyl-ethyl-dimethylazanium?
The InChIKey is CJPNTUGGVROOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N2/c1-7-10(5,6)8(2)9(3)4/h8H,7H2,1-6H3/q+1.
What are the key properties of 1-(dimethylamino)ethyl-ethyl-dimethylazanium?
1-(dimethylamino)ethyl-ethyl-dimethylazanium has a molecular weight of 145.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethyl-ethyl-dimethylazanium is sourced from PubChem (CID 126581656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).