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

C14H26N3+ — CID 2317465

IUPAC2-(3,3-dimethyl-5-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine
SMILESCN(C)NC1=CC(C)(C)CC(=[N+]2CCCC2)C1
InChIInChI=1S/C14H26N3/c1-14(2)10-12(15-16(3)4)9-13(11-14)17-7-5-6-8-17/h10,15H,5-9,11H2,1-4H3/q+1
InChIKeyARHYNRLSYIIONN-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.00
Rot. Bonds2

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

2-(3,3-dimethyl-5-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine (PubChem CID 2317465) has the molecular formula C14H26N3+ and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-(3,3-dimethyl-5-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-(3,3-dimethyl-5-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine
PubChem CID2317465
Molecular FormulaC14H26N3+
Molecular Weight236.38 g/mol
Exact Mass236.21
IUPAC Name2-(3,3-dimethyl-5-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine
SMILESCN(C)NC1=CC(C)(C)CC(=[N+]2CCCC2)C1
InChIInChI=1S/C14H26N3/c1-14(2)10-12(15-16(3)4)9-13(11-14)17-7-5-6-8-17/h10,15H,5-9,11H2,1-4H3/q+1
InChIKeyARHYNRLSYIIONN-UHFFFAOYSA-N
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-5-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine?
The IUPAC name of 2-(3,3-dimethyl-5-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine (CID 2317465) is 2-(3,3-dimethyl-5-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine.
What is the SMILES notation for 2-(3,3-dimethyl-5-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine?
The canonical SMILES for 2-(3,3-dimethyl-5-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine is CN(C)NC1=CC(C)(C)CC(=[N+]2CCCC2)C1.
What is the InChIKey of 2-(3,3-dimethyl-5-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine?
The InChIKey is ARHYNRLSYIIONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N3/c1-14(2)10-12(15-16(3)4)9-13(11-14)17-7-5-6-8-17/h10,15H,5-9,11H2,1-4H3/q+1.
What are the key properties of 2-(3,3-dimethyl-5-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine?
2-(3,3-dimethyl-5-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-(3,3-dimethyl-5-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-1,1-dimethylhydrazine is sourced from PubChem (CID 2317465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).