[amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium

C15H24N3+ — CID 6338961

IUPAC[amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium
SMILESCC[N+](CC)=C(N)N1c2ccccc2CC[C@H]1C
InChIInChI=1S/C15H23N3/c1-4-17(5-2)15(16)18-12(3)10-11-13-8-6-7-9-14(13)18/h6-9,12,16H,4-5,10-11H2,1-3H3/p+1/t12-/m1/s1
InChIKeyUNMCBCZIHXWFEM-GFCCVEGCSA-O
MW246.38 g/mol
LogP2.19
Rot. Bonds2

About [amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium

[amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium (PubChem CID 6338961) has the molecular formula C15H24N3+ and a molecular weight of 246.38 g/mol. Its IUPAC name is [amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium.

Molecular Properties

Compound Name[amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium
PubChem CID6338961
Molecular FormulaC15H24N3+
Molecular Weight246.38 g/mol
Exact Mass246.20
IUPAC Name[amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium
SMILESCC[N+](CC)=C(N)N1c2ccccc2CC[C@H]1C
InChIInChI=1S/C15H23N3/c1-4-17(5-2)15(16)18-12(3)10-11-13-8-6-7-9-14(13)18/h6-9,12,16H,4-5,10-11H2,1-3H3/p+1/t12-/m1/s1
InChIKeyUNMCBCZIHXWFEM-GFCCVEGCSA-O
XLogP2.19
TPSA32.27 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one
CID 107143827
(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897098
3-chloro-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 36690377
(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765959
2-methyl-3,4-dihydro-2H-quinolin-1-amine
CID 10103459
2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 22328468
2-bromo-2-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116816888
[1-(aminomethyl)-3-methylcyclobutyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 80587521
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetate
CID 112616576
(2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide
CID 98701052
N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 43468929
4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
CID 61183225

Frequently Asked Questions

What is the IUPAC name of [amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium?
The IUPAC name of [amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium (CID 6338961) is [amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium.
What is the SMILES notation for [amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium?
The canonical SMILES for [amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium is CC[N+](CC)=C(N)N1c2ccccc2CC[C@H]1C.
What is the InChIKey of [amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium?
The InChIKey is UNMCBCZIHXWFEM-GFCCVEGCSA-O. The full InChI is InChI=1S/C15H23N3/c1-4-17(5-2)15(16)18-12(3)10-11-13-8-6-7-9-14(13)18/h6-9,12,16H,4-5,10-11H2,1-3H3/p+1/t12-/m1/s1.
What are the key properties of [amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium?
[amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium has a molecular weight of 246.38 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methylidene]-diethylazanium is sourced from PubChem (CID 6338961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).