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

C17H23N2+ — CID 118569953

IUPACN-cyclohexyl-N,1-dimethylquinolin-1-ium-4-amine
SMILESCN(c1cc[n+](C)c2ccccc12)C1CCCCC1
InChIInChI=1S/C17H23N2/c1-18-13-12-17(15-10-6-7-11-16(15)18)19(2)14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3/q+1
InChIKeyWDWMBNZNOHDAHU-UHFFFAOYSA-N
MW255.39 g/mol
LogP3.43
Rot. Bonds2

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

N-cyclohexyl-N,1-dimethylquinolin-1-ium-4-amine (PubChem CID 118569953) has the molecular formula C17H23N2+ and a molecular weight of 255.39 g/mol. Its IUPAC name is N-cyclohexyl-N,1-dimethylquinolin-1-ium-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-N,1-dimethylquinolin-1-ium-4-amine
PubChem CID118569953
Molecular FormulaC17H23N2+
Molecular Weight255.39 g/mol
Exact Mass255.19
IUPAC NameN-cyclohexyl-N,1-dimethylquinolin-1-ium-4-amine
SMILESCN(c1cc[n+](C)c2ccccc12)C1CCCCC1
InChIInChI=1S/C17H23N2/c1-18-13-12-17(15-10-6-7-11-16(15)18)19(2)14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3/q+1
InChIKeyWDWMBNZNOHDAHU-UHFFFAOYSA-N
XLogP3.43
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 53.43
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'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,1-dimethylquinolin-1-ium-4-amine?
The IUPAC name of N-cyclohexyl-N,1-dimethylquinolin-1-ium-4-amine (CID 118569953) is N-cyclohexyl-N,1-dimethylquinolin-1-ium-4-amine.
What is the SMILES notation for N-cyclohexyl-N,1-dimethylquinolin-1-ium-4-amine?
The canonical SMILES for N-cyclohexyl-N,1-dimethylquinolin-1-ium-4-amine is CN(c1cc[n+](C)c2ccccc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N,1-dimethylquinolin-1-ium-4-amine?
The InChIKey is WDWMBNZNOHDAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N2/c1-18-13-12-17(15-10-6-7-11-16(15)18)19(2)14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3/q+1.
What are the key properties of N-cyclohexyl-N,1-dimethylquinolin-1-ium-4-amine?
N-cyclohexyl-N,1-dimethylquinolin-1-ium-4-amine has a molecular weight of 255.39 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,1-dimethylquinolin-1-ium-4-amine is sourced from PubChem (CID 118569953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).