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

C15H28N3+ — CID 4113719

IUPAC2-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine
SMILESCN(C)NC1=CC(=[N+]2CCCCC2)CC(C)(C)C1
InChIInChI=1S/C15H27N3/c1-15(2)11-13(16-17(3)4)10-14(12-15)18-8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/p+1
InChIKeyOWWKMNPPRNPJRQ-UHFFFAOYSA-O
MW250.41 g/mol
LogP2.39
Rot. Bonds2

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

2-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine (PubChem CID 4113719) has the molecular formula C15H28N3+ and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine
PubChem CID4113719
Molecular FormulaC15H28N3+
Molecular Weight250.41 g/mol
Exact Mass250.23
IUPAC Name2-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine
SMILESCN(C)NC1=CC(=[N+]2CCCCC2)CC(C)(C)C1
InChIInChI=1S/C15H27N3/c1-15(2)11-13(16-17(3)4)10-14(12-15)18-8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/p+1
InChIKeyOWWKMNPPRNPJRQ-UHFFFAOYSA-O
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'}

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Related Compounds

CID 16195958
CID 16195958
CID 4604928
CID 4604928
CID 4414011
CID 4414011
CID 16237334
CID 16237334
CID 417931
CID 417931
CID 2307863
CID 2307863
CID 2307864
CID 2307864
CID 2317439
CID 2317439
CID 2317465
CID 2317465
CID 3416223
CID 3416223
CID 7062677
CID 7062677
CID 16237246
CID 16237246

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine?
The IUPAC name of 2-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine (CID 4113719) is 2-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine.
What is the SMILES notation for 2-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine?
The canonical SMILES for 2-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine is CN(C)NC1=CC(=[N+]2CCCCC2)CC(C)(C)C1.
What is the InChIKey of 2-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine?
The InChIKey is OWWKMNPPRNPJRQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H27N3/c1-15(2)11-13(16-17(3)4)10-14(12-15)18-8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/p+1.
What are the key properties of 2-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine?
2-(5,5-dimethyl-3-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-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine is sourced from PubChem (CID 4113719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).