(E)-butoxyimino-oxido-propan-2-ylazanium

C7H16N2O2 — CID 5365010

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

About (E)-butoxyimino-oxido-propan-2-ylazanium

(E)-butoxyimino-oxido-propan-2-ylazanium (PubChem CID 5365010) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (E)-butoxyimino-oxido-propan-2-ylazanium.

Molecular Properties

Compound Name(E)-butoxyimino-oxido-propan-2-ylazanium
PubChem CID5365010
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(E)-butoxyimino-oxido-propan-2-ylazanium
SMILESCCCCO/N=[N+](/[O-])C(C)C
InChIInChI=1S/C7H16N2O2/c1-4-5-6-11-8-9(10)7(2)3/h7H,4-6H2,1-3H3/b9-8+
InChIKeyXCKYSNAMRPLVFJ-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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-butoxyimino-oxido-propan-2-ylazanium?
The IUPAC name of (E)-butoxyimino-oxido-propan-2-ylazanium (CID 5365010) is (E)-butoxyimino-oxido-propan-2-ylazanium.
What is the SMILES notation for (E)-butoxyimino-oxido-propan-2-ylazanium?
The canonical SMILES for (E)-butoxyimino-oxido-propan-2-ylazanium is CCCCO/N=[N+](/[O-])C(C)C.
What is the InChIKey of (E)-butoxyimino-oxido-propan-2-ylazanium?
The InChIKey is XCKYSNAMRPLVFJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-4-5-6-11-8-9(10)7(2)3/h7H,4-6H2,1-3H3/b9-8+.
What are the key properties of (E)-butoxyimino-oxido-propan-2-ylazanium?
(E)-butoxyimino-oxido-propan-2-ylazanium 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 (E)-butoxyimino-oxido-propan-2-ylazanium is sourced from PubChem (CID 5365010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).