magnesium;4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-1-N-ethyl-4-N-methylpentane-1,4-diamine;chloride

C19H30ClMgN3 — CID 59891557

IUPACmagnesium;4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-1-N-ethyl-4-N-methylpentane-1,4-diamine;chloride
SMILES[CH2-]CN(CC)CCCC(C)N(C)C1=CC=NC2C=CC=CC12.[Cl-].[Mg+2]
InChIInChI=1S/C19H30N3.ClH.Mg/c1-5-22(6-2)15-9-10-16(3)21(4)19-13-14-20-18-12-8-7-11-17(18)19;;/h7-8,11-14,16-18H,1,5-6,9-10,15H2,2-4H3;1H;/q-1;;+2/p-1
InChIKeyRNOQROKOVLLCPJ-UHFFFAOYSA-M
MW360.23 g/mol
LogP-0.05
Rot. Bonds8

About magnesium;4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-1-N-ethyl-4-N-methylpentane-1,4-diamine;chloride

magnesium;4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-1-N-ethyl-4-N-methylpentane-1,4-diamine;chloride (PubChem CID 59891557) has the molecular formula C19H30ClMgN3 and a molecular weight of 360.23 g/mol. Its IUPAC name is magnesium;4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-1-N-ethyl-4-N-methylpentane-1,4-diamine;chloride.

Molecular Properties

Compound Namemagnesium;4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-1-N-ethyl-4-N-methylpentane-1,4-diamine;chloride
PubChem CID59891557
Molecular FormulaC19H30ClMgN3
Molecular Weight360.23 g/mol
Exact Mass359.20
IUPAC Namemagnesium;4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-1-N-ethyl-4-N-methylpentane-1,4-diamine;chloride
SMILES[CH2-]CN(CC)CCCC(C)N(C)C1=CC=NC2C=CC=CC12.[Cl-].[Mg+2]
InChIInChI=1S/C19H30N3.ClH.Mg/c1-5-22(6-2)15-9-10-16(3)21(4)19-13-14-20-18-12-8-7-11-17(18)19;;/h7-8,11-14,16-18H,1,5-6,9-10,15H2,2-4H3;1H;/q-1;;+2/p-1
InChIKeyRNOQROKOVLLCPJ-UHFFFAOYSA-M
XLogP-0.05
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-1-N-ethyl-4-N-methylpentane-1,4-diamine;chloride?
The IUPAC name of magnesium;4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-1-N-ethyl-4-N-methylpentane-1,4-diamine;chloride (CID 59891557) is magnesium;4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-1-N-ethyl-4-N-methylpentane-1,4-diamine;chloride.
What is the SMILES notation for magnesium;4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-1-N-ethyl-4-N-methylpentane-1,4-diamine;chloride?
The canonical SMILES for magnesium;4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-1-N-ethyl-4-N-methylpentane-1,4-diamine;chloride is [CH2-]CN(CC)CCCC(C)N(C)C1=CC=NC2C=CC=CC12.[Cl-].[Mg+2].
What is the InChIKey of magnesium;4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-1-N-ethyl-4-N-methylpentane-1,4-diamine;chloride?
The InChIKey is RNOQROKOVLLCPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H30N3.ClH.Mg/c1-5-22(6-2)15-9-10-16(3)21(4)19-13-14-20-18-12-8-7-11-17(18)19;;/h7-8,11-14,16-18H,1,5-6,9-10,15H2,2-4H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-1-N-ethyl-4-N-methylpentane-1,4-diamine;chloride?
magnesium;4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-1-N-ethyl-4-N-methylpentane-1,4-diamine;chloride has a molecular weight of 360.23 g/mol, XLogP of -0.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-1-N-ethyl-4-N-methylpentane-1,4-diamine;chloride is sourced from PubChem (CID 59891557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).