N,N-diethyl-1-methylquinolin-1-ium-7-amine

C14H19N2+ — CID 11551873

IUPACN,N-diethyl-1-methylquinolin-1-ium-7-amine
SMILESCCN(CC)c1ccc2ccc[n+](C)c2c1
InChIInChI=1S/C14H19N2/c1-4-16(5-2)13-9-8-12-7-6-10-15(3)14(12)11-13/h6-11H,4-5H2,1-3H3/q+1
InChIKeyHDCAIZCXZKOIBS-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.51
Rot. Bonds3

About N,N-diethyl-1-methylquinolin-1-ium-7-amine

N,N-diethyl-1-methylquinolin-1-ium-7-amine (PubChem CID 11551873) has the molecular formula C14H19N2+ and a molecular weight of 215.32 g/mol. Its IUPAC name is N,N-diethyl-1-methylquinolin-1-ium-7-amine.

Molecular Properties

Compound NameN,N-diethyl-1-methylquinolin-1-ium-7-amine
PubChem CID11551873
Molecular FormulaC14H19N2+
Molecular Weight215.32 g/mol
Exact Mass215.15
IUPAC NameN,N-diethyl-1-methylquinolin-1-ium-7-amine
SMILESCCN(CC)c1ccc2ccc[n+](C)c2c1
InChIInChI=1S/C14H19N2/c1-4-16(5-2)13-9-8-12-7-6-10-15(3)14(12)11-13/h6-11H,4-5H2,1-3H3/q+1
InChIKeyHDCAIZCXZKOIBS-UHFFFAOYSA-N
XLogP2.51
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.51
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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Related Compounds

N,N-diethylpyren-2-amine
CID 122393290
N,N-diethylbenzo[b]quinolizin-5-ium-9-amine
CID 86257731
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
9-[4-(diethylamino)phenyl]-3-N,3-N,6-N,6-N-tetraethyl-10-methylacridin-10-ium-3,6-diamine
CID 144754130
N,N-diethyl-5-methylnaphthalen-2-amine
CID 22944612
3-chloro-N,N-diethyl-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline
CID 89337069
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
1-ethyl-7-fluoroquinolin-1-ium
CID 44723590
N,N-diethylbenzo[b]quinolizin-5-ium-9-amine tetrafluoroborate
CID 135005334
N,N-diethyl-10-phenylphenazin-10-ium-2-amine
CID 71330589
4-N,4-N-diethyl-1-N-methyl-1-N-[1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine
CID 76699788
4-N,4-N-diethyl-1-N-methyl-1-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]benzene-1,4-diamine
CID 66700835

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methylquinolin-1-ium-7-amine?
The IUPAC name of N,N-diethyl-1-methylquinolin-1-ium-7-amine (CID 11551873) is N,N-diethyl-1-methylquinolin-1-ium-7-amine.
What is the SMILES notation for N,N-diethyl-1-methylquinolin-1-ium-7-amine?
The canonical SMILES for N,N-diethyl-1-methylquinolin-1-ium-7-amine is CCN(CC)c1ccc2ccc[n+](C)c2c1.
What is the InChIKey of N,N-diethyl-1-methylquinolin-1-ium-7-amine?
The InChIKey is HDCAIZCXZKOIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N2/c1-4-16(5-2)13-9-8-12-7-6-10-15(3)14(12)11-13/h6-11H,4-5H2,1-3H3/q+1.
What are the key properties of N,N-diethyl-1-methylquinolin-1-ium-7-amine?
N,N-diethyl-1-methylquinolin-1-ium-7-amine has a molecular weight of 215.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-methylquinolin-1-ium-7-amine is sourced from PubChem (CID 11551873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).