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

C14H26N3+ — CID 4604928

IUPAC2-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine
SMILESCN(C)NC1=CC(=[N+]2CCCC2)CC(C)(C)C1
InChIInChI=1S/C14H25N3/c1-14(2)10-12(15-16(3)4)9-13(11-14)17-7-5-6-8-17/h9H,5-8,10-11H2,1-4H3/p+1
InChIKeyIUAJKIRSUDWOTD-UHFFFAOYSA-O
MW236.38 g/mol
LogP2.00
Rot. Bonds2

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

2-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine (PubChem CID 4604928) has the molecular formula C14H26N3+ and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine
PubChem CID4604928
Molecular FormulaC14H26N3+
Molecular Weight236.38 g/mol
Exact Mass236.21
IUPAC Name2-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine
SMILESCN(C)NC1=CC(=[N+]2CCCC2)CC(C)(C)C1
InChIInChI=1S/C14H25N3/c1-14(2)10-12(15-16(3)4)9-13(11-14)17-7-5-6-8-17/h9H,5-8,10-11H2,1-4H3/p+1
InChIKeyIUAJKIRSUDWOTD-UHFFFAOYSA-O
XLogP2.00
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.00
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-(5,5-dimethyl-3-pyrrolidin-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-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine?
The IUPAC name of 2-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine (CID 4604928) is 2-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine.
What is the SMILES notation for 2-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine?
The canonical SMILES for 2-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine is CN(C)NC1=CC(=[N+]2CCCC2)CC(C)(C)C1.
What is the InChIKey of 2-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine?
The InChIKey is IUAJKIRSUDWOTD-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H25N3/c1-14(2)10-12(15-16(3)4)9-13(11-14)17-7-5-6-8-17/h9H,5-8,10-11H2,1-4H3/p+1.
What are the key properties of 2-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine?
2-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine has a molecular weight of 236.38 g/mol, XLogP of 2.00, 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-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine is sourced from PubChem (CID 4604928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).