1-ethoxy-N-methyl-N-(methyldiazenyl)propan-2-amine

C7H17N3O — CID 123191628

IUPAC1-ethoxy-N-methyl-N-(methyldiazenyl)propan-2-amine
SMILESCCOCC(C)N(C)/N=N/C
InChIInChI=1S/C7H17N3O/c1-5-11-6-7(2)10(4)9-8-3/h7H,5-6H2,1-4H3/b9-8+
InChIKeyLIDAWIDCIYWDQD-CMDGGOBGSA-N
MW159.23 g/mol
LogP1.34
Rot. Bonds5

About 1-ethoxy-N-methyl-N-(methyldiazenyl)propan-2-amine

1-ethoxy-N-methyl-N-(methyldiazenyl)propan-2-amine (PubChem CID 123191628) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-ethoxy-N-methyl-N-(methyldiazenyl)propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-methyl-N-(methyldiazenyl)propan-2-amine
PubChem CID123191628
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name1-ethoxy-N-methyl-N-(methyldiazenyl)propan-2-amine
SMILESCCOCC(C)N(C)/N=N/C
InChIInChI=1S/C7H17N3O/c1-5-11-6-7(2)10(4)9-8-3/h7H,5-6H2,1-4H3/b9-8+
InChIKeyLIDAWIDCIYWDQD-CMDGGOBGSA-N
XLogP1.34
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-ethoxy-N-methyl-N-(methyldiazenyl)propan-2-amine?
The IUPAC name of 1-ethoxy-N-methyl-N-(methyldiazenyl)propan-2-amine (CID 123191628) is 1-ethoxy-N-methyl-N-(methyldiazenyl)propan-2-amine.
What is the SMILES notation for 1-ethoxy-N-methyl-N-(methyldiazenyl)propan-2-amine?
The canonical SMILES for 1-ethoxy-N-methyl-N-(methyldiazenyl)propan-2-amine is CCOCC(C)N(C)/N=N/C.
What is the InChIKey of 1-ethoxy-N-methyl-N-(methyldiazenyl)propan-2-amine?
The InChIKey is LIDAWIDCIYWDQD-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H17N3O/c1-5-11-6-7(2)10(4)9-8-3/h7H,5-6H2,1-4H3/b9-8+.
What are the key properties of 1-ethoxy-N-methyl-N-(methyldiazenyl)propan-2-amine?
1-ethoxy-N-methyl-N-(methyldiazenyl)propan-2-amine has a molecular weight of 159.23 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-methyl-N-(methyldiazenyl)propan-2-amine is sourced from PubChem (CID 123191628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).