butoxy-oxido-propan-2-yliminoazanium

C7H16N2O2 — CID 20845327

IUPACbutoxy-oxido-propan-2-yliminoazanium
SMILESCCCCO/[N+]([O-])=N/C(C)C
InChIInChI=1S/C7H16N2O2/c1-4-5-6-11-9(10)8-7(2)3/h7H,4-6H2,1-3H3/b9-8+
InChIKeyMWIUIYSNICONFF-CMDGGOBGSA-N
MW160.22 g/mol
LogP2.09
Rot. Bonds5

About butoxy-oxido-propan-2-yliminoazanium

butoxy-oxido-propan-2-yliminoazanium (PubChem CID 20845327) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is butoxy-oxido-propan-2-yliminoazanium.

Molecular Properties

Compound Namebutoxy-oxido-propan-2-yliminoazanium
PubChem CID20845327
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Namebutoxy-oxido-propan-2-yliminoazanium
SMILESCCCCO/[N+]([O-])=N/C(C)C
InChIInChI=1S/C7H16N2O2/c1-4-5-6-11-9(10)8-7(2)3/h7H,4-6H2,1-3H3/b9-8+
InChIKeyMWIUIYSNICONFF-CMDGGOBGSA-N
XLogP2.09
TPSA47.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butoxy-oxido-propan-2-yliminoazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methoxy-oxido-propan-2-yliminoazanium
CID 23264256
Oxido-propoxy-propyliminoazanium
CID 119098054
Oxido-propan-2-ylimino-propan-2-yloxyazanium
CID 119098586
Butan-2-yl(ethoxy)diazene
CID 123383651
Butoxy-butylimino-oxidoazanium
CID 3795746
(E)-butoxyimino-oxido-propan-2-ylazanium
CID 5365010
(Z)-butoxyimino-oxido-propan-2-ylazanium
CID 9601655

Frequently Asked Questions

What is the IUPAC name of butoxy-oxido-propan-2-yliminoazanium?
The IUPAC name of butoxy-oxido-propan-2-yliminoazanium (CID 20845327) is butoxy-oxido-propan-2-yliminoazanium.
What is the SMILES notation for butoxy-oxido-propan-2-yliminoazanium?
The canonical SMILES for butoxy-oxido-propan-2-yliminoazanium is CCCCO/[N+]([O-])=N/C(C)C.
What is the InChIKey of butoxy-oxido-propan-2-yliminoazanium?
The InChIKey is MWIUIYSNICONFF-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-4-5-6-11-9(10)8-7(2)3/h7H,4-6H2,1-3H3/b9-8+.
What are the key properties of butoxy-oxido-propan-2-yliminoazanium?
butoxy-oxido-propan-2-yliminoazanium has a molecular weight of 160.22 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-oxido-propan-2-yliminoazanium is sourced from PubChem (CID 20845327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).