2-(3,3-dimethyl-5-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine

C15H28N3+ — CID 2317439

IUPAC2-(3,3-dimethyl-5-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine
SMILESCN(C)NC1=CC(C)(C)CC(=[N+]2CCCCC2)C1
InChIInChI=1S/C15H28N3/c1-15(2)11-13(16-17(3)4)10-14(12-15)18-8-6-5-7-9-18/h11,16H,5-10,12H2,1-4H3/q+1
InChIKeyUQQVLVCYZNJHJZ-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.39
Rot. Bonds2

About 2-(3,3-dimethyl-5-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine

2-(3,3-dimethyl-5-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine (PubChem CID 2317439) has the molecular formula C15H28N3+ and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-(3,3-dimethyl-5-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-(3,3-dimethyl-5-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine
PubChem CID2317439
Molecular FormulaC15H28N3+
Molecular Weight250.41 g/mol
Exact Mass250.23
IUPAC Name2-(3,3-dimethyl-5-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine
SMILESCN(C)NC1=CC(C)(C)CC(=[N+]2CCCCC2)C1
InChIInChI=1S/C15H28N3/c1-15(2)11-13(16-17(3)4)10-14(12-15)18-8-6-5-7-9-18/h11,16H,5-10,12H2,1-4H3/q+1
InChIKeyUQQVLVCYZNJHJZ-UHFFFAOYSA-N
XLogP2.39
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(3,3-dimethyl-5-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine 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 2-(3,3-dimethyl-5-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine?
The IUPAC name of 2-(3,3-dimethyl-5-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine (CID 2317439) is 2-(3,3-dimethyl-5-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine.
What is the SMILES notation for 2-(3,3-dimethyl-5-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine?
The canonical SMILES for 2-(3,3-dimethyl-5-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine is CN(C)NC1=CC(C)(C)CC(=[N+]2CCCCC2)C1.
What is the InChIKey of 2-(3,3-dimethyl-5-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine?
The InChIKey is UQQVLVCYZNJHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N3/c1-15(2)11-13(16-17(3)4)10-14(12-15)18-8-6-5-7-9-18/h11,16H,5-10,12H2,1-4H3/q+1.
What are the key properties of 2-(3,3-dimethyl-5-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine?
2-(3,3-dimethyl-5-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine has a molecular weight of 250.41 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-5-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine is sourced from PubChem (CID 2317439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).