(NE)-N-[(4E)-3,3-diethyl-4-hydroxyiminopentan-2-ylidene]hydroxylamine

C9H18N2O2 — CID 12605659

IUPAC(NE)-N-[(4E)-3,3-diethyl-4-hydroxyiminopentan-2-ylidene]hydroxylamine
SMILESCCC(CC)(/C(C)=N/O)/C(C)=N/O
InChIInChI=1S/C9H18N2O2/c1-5-9(6-2,7(3)10-12)8(4)11-13/h12-13H,5-6H2,1-4H3/b10-7+,11-8+
InChIKeyNHNRDXZVMDCQNI-AMMQDNIMSA-N
MW186.25 g/mol
LogP2.49
Rot. Bonds4

About (NE)-N-[(4E)-3,3-diethyl-4-hydroxyiminopentan-2-ylidene]hydroxylamine

(NE)-N-[(4E)-3,3-diethyl-4-hydroxyiminopentan-2-ylidene]hydroxylamine (PubChem CID 12605659) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (NE)-N-[(4E)-3,3-diethyl-4-hydroxyiminopentan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4E)-3,3-diethyl-4-hydroxyiminopentan-2-ylidene]hydroxylamine
PubChem CID12605659
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(NE)-N-[(4E)-3,3-diethyl-4-hydroxyiminopentan-2-ylidene]hydroxylamine
SMILESCCC(CC)(/C(C)=N/O)/C(C)=N/O
InChIInChI=1S/C9H18N2O2/c1-5-9(6-2,7(3)10-12)8(4)11-13/h12-13H,5-6H2,1-4H3/b10-7+,11-8+
InChIKeyNHNRDXZVMDCQNI-AMMQDNIMSA-N
XLogP2.49
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[(4E)-3,3-diethyl-4-hydroxyiminopentan-2-ylidene]hydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4E)-3,3-diethyl-4-hydroxyiminopentan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4E)-3,3-diethyl-4-hydroxyiminopentan-2-ylidene]hydroxylamine (CID 12605659) is (NE)-N-[(4E)-3,3-diethyl-4-hydroxyiminopentan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4E)-3,3-diethyl-4-hydroxyiminopentan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4E)-3,3-diethyl-4-hydroxyiminopentan-2-ylidene]hydroxylamine is CCC(CC)(/C(C)=N/O)/C(C)=N/O.
What is the InChIKey of (NE)-N-[(4E)-3,3-diethyl-4-hydroxyiminopentan-2-ylidene]hydroxylamine?
The InChIKey is NHNRDXZVMDCQNI-AMMQDNIMSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-5-9(6-2,7(3)10-12)8(4)11-13/h12-13H,5-6H2,1-4H3/b10-7+,11-8+.
What are the key properties of (NE)-N-[(4E)-3,3-diethyl-4-hydroxyiminopentan-2-ylidene]hydroxylamine?
(NE)-N-[(4E)-3,3-diethyl-4-hydroxyiminopentan-2-ylidene]hydroxylamine has a molecular weight of 186.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4E)-3,3-diethyl-4-hydroxyiminopentan-2-ylidene]hydroxylamine is sourced from PubChem (CID 12605659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).