(NE)-N-(3-butyl-2,2-dimethylcyclopentylidene)hydroxylamine

C11H21NO — CID 166652237

IUPAC(NE)-N-(3-butyl-2,2-dimethylcyclopentylidene)hydroxylamine
SMILESCCCCC1CC/C(=N\O)C1(C)C
InChIInChI=1S/C11H21NO/c1-4-5-6-9-7-8-10(12-13)11(9,2)3/h9,13H,4-8H2,1-3H3/b12-10+
InChIKeyDWJHRJGKQAJGJB-ZRDIBKRKSA-N
MW183.29 g/mol
LogP3.44
Rot. Bonds3

About (NE)-N-(3-butyl-2,2-dimethylcyclopentylidene)hydroxylamine

(NE)-N-(3-butyl-2,2-dimethylcyclopentylidene)hydroxylamine (PubChem CID 166652237) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (NE)-N-(3-butyl-2,2-dimethylcyclopentylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-butyl-2,2-dimethylcyclopentylidene)hydroxylamine
PubChem CID166652237
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(NE)-N-(3-butyl-2,2-dimethylcyclopentylidene)hydroxylamine
SMILESCCCCC1CC/C(=N\O)C1(C)C
InChIInChI=1S/C11H21NO/c1-4-5-6-9-7-8-10(12-13)11(9,2)3/h9,13H,4-8H2,1-3H3/b12-10+
InChIKeyDWJHRJGKQAJGJB-ZRDIBKRKSA-N
XLogP3.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.44
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-(3-butyl-2,2-dimethylcyclopentylidene)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-(3-butyl-2,2-dimethylcyclopentylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-butyl-2,2-dimethylcyclopentylidene)hydroxylamine (CID 166652237) is (NE)-N-(3-butyl-2,2-dimethylcyclopentylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-butyl-2,2-dimethylcyclopentylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-butyl-2,2-dimethylcyclopentylidene)hydroxylamine is CCCCC1CC/C(=N\O)C1(C)C.
What is the InChIKey of (NE)-N-(3-butyl-2,2-dimethylcyclopentylidene)hydroxylamine?
The InChIKey is DWJHRJGKQAJGJB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-6-9-7-8-10(12-13)11(9,2)3/h9,13H,4-8H2,1-3H3/b12-10+.
What are the key properties of (NE)-N-(3-butyl-2,2-dimethylcyclopentylidene)hydroxylamine?
(NE)-N-(3-butyl-2,2-dimethylcyclopentylidene)hydroxylamine has a molecular weight of 183.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-butyl-2,2-dimethylcyclopentylidene)hydroxylamine is sourced from PubChem (CID 166652237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).