cyclohexane;N-propan-2-ylidenehydroxylamine

C9H19NO — CID 157398506

IUPACcyclohexane;N-propan-2-ylidenehydroxylamine
SMILESC1CCCCC1.CC(C)=NO
InChIInChI=1S/C6H12.C3H7NO/c1-2-4-6-5-3-1;1-3(2)4-5/h1-6H2;5H,1-2H3
InChIKeyBMWDTTHHOXZRJV-UHFFFAOYSA-N
MW157.26 g/mol
LogP3.20
Rot. Bonds

About cyclohexane;N-propan-2-ylidenehydroxylamine

cyclohexane;N-propan-2-ylidenehydroxylamine (PubChem CID 157398506) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is cyclohexane;N-propan-2-ylidenehydroxylamine.

Molecular Properties

Compound Namecyclohexane;N-propan-2-ylidenehydroxylamine
PubChem CID157398506
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Namecyclohexane;N-propan-2-ylidenehydroxylamine
SMILESC1CCCCC1.CC(C)=NO
InChIInChI=1S/C6H12.C3H7NO/c1-2-4-6-5-3-1;1-3(2)4-5/h1-6H2;5H,1-2H3
InChIKeyBMWDTTHHOXZRJV-UHFFFAOYSA-N
XLogP3.20
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 53.20
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 cyclohexane;N-propan-2-ylidenehydroxylamine 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 cyclohexane;N-propan-2-ylidenehydroxylamine?
The IUPAC name of cyclohexane;N-propan-2-ylidenehydroxylamine (CID 157398506) is cyclohexane;N-propan-2-ylidenehydroxylamine.
What is the SMILES notation for cyclohexane;N-propan-2-ylidenehydroxylamine?
The canonical SMILES for cyclohexane;N-propan-2-ylidenehydroxylamine is C1CCCCC1.CC(C)=NO.
What is the InChIKey of cyclohexane;N-propan-2-ylidenehydroxylamine?
The InChIKey is BMWDTTHHOXZRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C3H7NO/c1-2-4-6-5-3-1;1-3(2)4-5/h1-6H2;5H,1-2H3.
What are the key properties of cyclohexane;N-propan-2-ylidenehydroxylamine?
cyclohexane;N-propan-2-ylidenehydroxylamine has a molecular weight of 157.26 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;N-propan-2-ylidenehydroxylamine is sourced from PubChem (CID 157398506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).