N,1-dimethylpiperidin-1-ium-1-amine

C7H17N2+ — CID 123361819

IUPACN,1-dimethylpiperidin-1-ium-1-amine
SMILESCN[N+]1(C)CCCCC1
InChIInChI=1S/C7H17N2/c1-8-9(2)6-4-3-5-7-9/h8H,3-7H2,1-2H3/q+1
InChIKeyOXAHCPKKLHFRIN-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.75
Rot. Bonds1

About N,1-dimethylpiperidin-1-ium-1-amine

N,1-dimethylpiperidin-1-ium-1-amine (PubChem CID 123361819) has the molecular formula C7H17N2+ and a molecular weight of 129.23 g/mol. Its IUPAC name is N,1-dimethylpiperidin-1-ium-1-amine.

Molecular Properties

Compound NameN,1-dimethylpiperidin-1-ium-1-amine
PubChem CID123361819
Molecular FormulaC7H17N2+
Molecular Weight129.23 g/mol
Exact Mass129.14
IUPAC NameN,1-dimethylpiperidin-1-ium-1-amine
SMILESCN[N+]1(C)CCCCC1
InChIInChI=1S/C7H17N2/c1-8-9(2)6-4-3-5-7-9/h8H,3-7H2,1-2H3/q+1
InChIKeyOXAHCPKKLHFRIN-UHFFFAOYSA-N
XLogP0.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethylpiperidin-1-ium-1-amine?
The IUPAC name of N,1-dimethylpiperidin-1-ium-1-amine (CID 123361819) is N,1-dimethylpiperidin-1-ium-1-amine.
What is the SMILES notation for N,1-dimethylpiperidin-1-ium-1-amine?
The canonical SMILES for N,1-dimethylpiperidin-1-ium-1-amine is CN[N+]1(C)CCCCC1.
What is the InChIKey of N,1-dimethylpiperidin-1-ium-1-amine?
The InChIKey is OXAHCPKKLHFRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2/c1-8-9(2)6-4-3-5-7-9/h8H,3-7H2,1-2H3/q+1.
What are the key properties of N,1-dimethylpiperidin-1-ium-1-amine?
N,1-dimethylpiperidin-1-ium-1-amine has a molecular weight of 129.23 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylpiperidin-1-ium-1-amine is sourced from PubChem (CID 123361819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).