(NE)-N-[(2E)-2-butylidenecyclohexylidene]hydroxylamine

C10H17NO — CID 88733502

IUPAC(NE)-N-[(2E)-2-butylidenecyclohexylidene]hydroxylamine
SMILESCCC/C=C1\CCCC\C1=N/O
InChIInChI=1S/C10H17NO/c1-2-3-6-9-7-4-5-8-10(9)11-12/h6,12H,2-5,7-8H2,1H3/b9-6+,11-10+
InChIKeyAFDZZRDDPSLYLX-GOKBKIRCSA-N
MW167.25 g/mol
LogP3.12
Rot. Bonds2

About (NE)-N-[(2E)-2-butylidenecyclohexylidene]hydroxylamine

(NE)-N-[(2E)-2-butylidenecyclohexylidene]hydroxylamine (PubChem CID 88733502) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (NE)-N-[(2E)-2-butylidenecyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2E)-2-butylidenecyclohexylidene]hydroxylamine
PubChem CID88733502
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(NE)-N-[(2E)-2-butylidenecyclohexylidene]hydroxylamine
SMILESCCC/C=C1\CCCC\C1=N/O
InChIInChI=1S/C10H17NO/c1-2-3-6-9-7-4-5-8-10(9)11-12/h6,12H,2-5,7-8H2,1H3/b9-6+,11-10+
InChIKeyAFDZZRDDPSLYLX-GOKBKIRCSA-N
XLogP3.12
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(2E)-2-butylidenecyclohexylidene]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-[(2E)-2-butylidenecyclohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2E)-2-butylidenecyclohexylidene]hydroxylamine (CID 88733502) is (NE)-N-[(2E)-2-butylidenecyclohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2E)-2-butylidenecyclohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2E)-2-butylidenecyclohexylidene]hydroxylamine is CCC/C=C1\CCCC\C1=N/O.
What is the InChIKey of (NE)-N-[(2E)-2-butylidenecyclohexylidene]hydroxylamine?
The InChIKey is AFDZZRDDPSLYLX-GOKBKIRCSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-6-9-7-4-5-8-10(9)11-12/h6,12H,2-5,7-8H2,1H3/b9-6+,11-10+.
What are the key properties of (NE)-N-[(2E)-2-butylidenecyclohexylidene]hydroxylamine?
(NE)-N-[(2E)-2-butylidenecyclohexylidene]hydroxylamine has a molecular weight of 167.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2E)-2-butylidenecyclohexylidene]hydroxylamine is sourced from PubChem (CID 88733502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).