N-diazenyl-N-ethylethanamine

C4H11N3 — CID 54328566

IUPACN-diazenyl-N-ethylethanamine
SMILES[H]/N=N/N(CC)CC
InChIInChI=1S/C4H11N3/c1-3-7(4-2)6-5/h5H,3-4H2,1-2H3/b6-5+
InChIKeySWRVEFSMRSNYLZ-AATRIKPKSA-N
MW101.15 g/mol
LogP1.27
Rot. Bonds3

About N-diazenyl-N-ethylethanamine

N-diazenyl-N-ethylethanamine (PubChem CID 54328566) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is N-diazenyl-N-ethylethanamine.

Molecular Properties

Compound NameN-diazenyl-N-ethylethanamine
PubChem CID54328566
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC NameN-diazenyl-N-ethylethanamine
SMILES[H]/N=N/N(CC)CC
InChIInChI=1S/C4H11N3/c1-3-7(4-2)6-5/h5H,3-4H2,1-2H3/b6-5+
InChIKeySWRVEFSMRSNYLZ-AATRIKPKSA-N
XLogP1.27
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-diazenyl-N-ethylethanamine?
The IUPAC name of N-diazenyl-N-ethylethanamine (CID 54328566) is N-diazenyl-N-ethylethanamine.
What is the SMILES notation for N-diazenyl-N-ethylethanamine?
The canonical SMILES for N-diazenyl-N-ethylethanamine is [H]/N=N/N(CC)CC.
What is the InChIKey of N-diazenyl-N-ethylethanamine?
The InChIKey is SWRVEFSMRSNYLZ-AATRIKPKSA-N. The full InChI is InChI=1S/C4H11N3/c1-3-7(4-2)6-5/h5H,3-4H2,1-2H3/b6-5+.
What are the key properties of N-diazenyl-N-ethylethanamine?
N-diazenyl-N-ethylethanamine has a molecular weight of 101.15 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazenyl-N-ethylethanamine is sourced from PubChem (CID 54328566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).