[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'}

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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).