amino-diethyl-(methylamino)azanium

C5H16N3+ — CID 54443798

IUPACamino-diethyl-(methylamino)azanium
SMILESCC[N+](N)(CC)NC
InChIInChI=1S/C5H16N3/c1-4-8(6,5-2)7-3/h7H,4-6H2,1-3H3/q+1
InChIKeyGZSJZQHAQHKJJB-UHFFFAOYSA-N
MW118.20 g/mol
LogP-0.15
Rot. Bonds3

About amino-diethyl-(methylamino)azanium

amino-diethyl-(methylamino)azanium (PubChem CID 54443798) has the molecular formula C5H16N3+ and a molecular weight of 118.20 g/mol. Its IUPAC name is amino-diethyl-(methylamino)azanium.

Molecular Properties

Compound Nameamino-diethyl-(methylamino)azanium
PubChem CID54443798
Molecular FormulaC5H16N3+
Molecular Weight118.20 g/mol
Exact Mass118.13
IUPAC Nameamino-diethyl-(methylamino)azanium
SMILESCC[N+](N)(CC)NC
InChIInChI=1S/C5H16N3/c1-4-8(6,5-2)7-3/h7H,4-6H2,1-3H3/q+1
InChIKeyGZSJZQHAQHKJJB-UHFFFAOYSA-N
XLogP-0.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-diethyl-(methylamino)azanium?
The IUPAC name of amino-diethyl-(methylamino)azanium (CID 54443798) is amino-diethyl-(methylamino)azanium.
What is the SMILES notation for amino-diethyl-(methylamino)azanium?
The canonical SMILES for amino-diethyl-(methylamino)azanium is CC[N+](N)(CC)NC.
What is the InChIKey of amino-diethyl-(methylamino)azanium?
The InChIKey is GZSJZQHAQHKJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H16N3/c1-4-8(6,5-2)7-3/h7H,4-6H2,1-3H3/q+1.
What are the key properties of amino-diethyl-(methylamino)azanium?
amino-diethyl-(methylamino)azanium has a molecular weight of 118.20 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-diethyl-(methylamino)azanium is sourced from PubChem (CID 54443798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).