N-cycloheptyl-N,1-dimethylquinolin-1-ium-4-amine

C18H25N2+ — CID 118569955

IUPACN-cycloheptyl-N,1-dimethylquinolin-1-ium-4-amine
SMILESCN(c1cc[n+](C)c2ccccc12)C1CCCCCC1
InChIInChI=1S/C18H25N2/c1-19-14-13-18(16-11-7-8-12-17(16)19)20(2)15-9-5-3-4-6-10-15/h7-8,11-15H,3-6,9-10H2,1-2H3/q+1
InChIKeyCAMLYLZMZFIACV-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.82
Rot. Bonds2

About N-cycloheptyl-N,1-dimethylquinolin-1-ium-4-amine

N-cycloheptyl-N,1-dimethylquinolin-1-ium-4-amine (PubChem CID 118569955) has the molecular formula C18H25N2+ and a molecular weight of 269.41 g/mol. Its IUPAC name is N-cycloheptyl-N,1-dimethylquinolin-1-ium-4-amine.

Molecular Properties

Compound NameN-cycloheptyl-N,1-dimethylquinolin-1-ium-4-amine
PubChem CID118569955
Molecular FormulaC18H25N2+
Molecular Weight269.41 g/mol
Exact Mass269.20
IUPAC NameN-cycloheptyl-N,1-dimethylquinolin-1-ium-4-amine
SMILESCN(c1cc[n+](C)c2ccccc12)C1CCCCCC1
InChIInChI=1S/C18H25N2/c1-19-14-13-18(16-11-7-8-12-17(16)19)20(2)15-9-5-3-4-6-10-15/h7-8,11-15H,3-6,9-10H2,1-2H3/q+1
InChIKeyCAMLYLZMZFIACV-UHFFFAOYSA-N
XLogP3.82
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-cycloheptyl-N,1-dimethylquinolin-1-ium-4-amine 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 N-cycloheptyl-N,1-dimethylquinolin-1-ium-4-amine?
The IUPAC name of N-cycloheptyl-N,1-dimethylquinolin-1-ium-4-amine (CID 118569955) is N-cycloheptyl-N,1-dimethylquinolin-1-ium-4-amine.
What is the SMILES notation for N-cycloheptyl-N,1-dimethylquinolin-1-ium-4-amine?
The canonical SMILES for N-cycloheptyl-N,1-dimethylquinolin-1-ium-4-amine is CN(c1cc[n+](C)c2ccccc12)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N,1-dimethylquinolin-1-ium-4-amine?
The InChIKey is CAMLYLZMZFIACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N2/c1-19-14-13-18(16-11-7-8-12-17(16)19)20(2)15-9-5-3-4-6-10-15/h7-8,11-15H,3-6,9-10H2,1-2H3/q+1.
What are the key properties of N-cycloheptyl-N,1-dimethylquinolin-1-ium-4-amine?
N-cycloheptyl-N,1-dimethylquinolin-1-ium-4-amine has a molecular weight of 269.41 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N,1-dimethylquinolin-1-ium-4-amine is sourced from PubChem (CID 118569955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).