2-N,2-dimethylpropane-1,2-diamine;2,3-dimethyl-4H-quinolin-4-ide;2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane;tungsten

C41H69N6W- — CID 160609968

IUPAC2-N,2-dimethylpropane-1,2-diamine;2,3-dimethyl-4H-quinolin-4-ide;2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane;tungsten
SMILESCC.CC.CC.CC.CNC(C)(C)CN.Cc1[c-]c2ccccc2nc1C.Cc1nc2ccccc2c(C2=NCC(C)(C)N2C)c1C.[W]
InChIInChI=1S/C17H21N3.C11H10N.C5H14N2.4C2H6.W/c1-11-12(2)19-14-9-7-6-8-13(14)15(11)16-18-10-17(3,4)20(16)5;1-8-7-10-5-3-4-6-11(10)12-9(8)2;1-5(2,4-6)7-3;4*1-2;/h6-9H,10H2,1-5H3;3-6H,1-2H3;7H,4,6H2,1-3H3;4*1-2H3;/q;-1;;;;;;
InChIKeyGUDCGQAKIDOOTF-UHFFFAOYSA-N
MW829.88 g/mol
LogP10.02
Rot. Bonds3

About 2-N,2-dimethylpropane-1,2-diamine;2,3-dimethyl-4H-quinolin-4-ide;2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane;tungsten

2-N,2-dimethylpropane-1,2-diamine;2,3-dimethyl-4H-quinolin-4-ide;2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane;tungsten (PubChem CID 160609968) has the molecular formula C41H69N6W- and a molecular weight of 829.88 g/mol. Its IUPAC name is 2-N,2-dimethylpropane-1,2-diamine;2,3-dimethyl-4H-quinolin-4-ide;2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane;tungsten.

Molecular Properties

Compound Name2-N,2-dimethylpropane-1,2-diamine;2,3-dimethyl-4H-quinolin-4-ide;2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane;tungsten
PubChem CID160609968
Molecular FormulaC41H69N6W-
Molecular Weight829.88 g/mol
Exact Mass829.51
IUPAC Name2-N,2-dimethylpropane-1,2-diamine;2,3-dimethyl-4H-quinolin-4-ide;2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane;tungsten
SMILESCC.CC.CC.CC.CNC(C)(C)CN.Cc1[c-]c2ccccc2nc1C.Cc1nc2ccccc2c(C2=NCC(C)(C)N2C)c1C.[W]
InChIInChI=1S/C17H21N3.C11H10N.C5H14N2.4C2H6.W/c1-11-12(2)19-14-9-7-6-8-13(14)15(11)16-18-10-17(3,4)20(16)5;1-8-7-10-5-3-4-6-11(10)12-9(8)2;1-5(2,4-6)7-3;4*1-2;/h6-9H,10H2,1-5H3;3-6H,1-2H3;7H,4,6H2,1-3H3;4*1-2H3;/q;-1;;;;;;
InChIKeyGUDCGQAKIDOOTF-UHFFFAOYSA-N
XLogP10.02
TPSA79.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.88
LogP ≤ 510.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N,2-dimethylpropane-1,2-diamine;2,3-dimethyl-4H-quinolin-4-ide;2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane;tungsten with MolForge

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Related Compounds

2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane
CID 91092436
(2,3-dimethylquinolin-4-yl)methanamine
CID 63346552
ethane;N-ethyl-2,3-dimethylquinolin-4-amine
CID 142091780
bis(N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine);ethane
CID 158524529
N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide
CID 63193778
1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 132532119
N-[1-(2,3-dimethylquinolin-4-yl)ethenyl]-N,2-dimethylpropan-2-amine
CID 18681645
4-(5-ethyl-1-methyl-5-phenyl-4H-imidazol-2-yl)-3-methoxy-2-phenylquinoline
CID 12043659
N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119522890
2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 15154348
2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine
CID 133452088
2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol
CID 135874563

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethylpropane-1,2-diamine;2,3-dimethyl-4H-quinolin-4-ide;2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane;tungsten?
The IUPAC name of 2-N,2-dimethylpropane-1,2-diamine;2,3-dimethyl-4H-quinolin-4-ide;2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane;tungsten (CID 160609968) is 2-N,2-dimethylpropane-1,2-diamine;2,3-dimethyl-4H-quinolin-4-ide;2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane;tungsten.
What is the SMILES notation for 2-N,2-dimethylpropane-1,2-diamine;2,3-dimethyl-4H-quinolin-4-ide;2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane;tungsten?
The canonical SMILES for 2-N,2-dimethylpropane-1,2-diamine;2,3-dimethyl-4H-quinolin-4-ide;2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane;tungsten is CC.CC.CC.CC.CNC(C)(C)CN.Cc1[c-]c2ccccc2nc1C.Cc1nc2ccccc2c(C2=NCC(C)(C)N2C)c1C.[W].
What is the InChIKey of 2-N,2-dimethylpropane-1,2-diamine;2,3-dimethyl-4H-quinolin-4-ide;2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane;tungsten?
The InChIKey is GUDCGQAKIDOOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3.C11H10N.C5H14N2.4C2H6.W/c1-11-12(2)19-14-9-7-6-8-13(14)15(11)16-18-10-17(3,4)20(16)5;1-8-7-10-5-3-4-6-11(10)12-9(8)2;1-5(2,4-6)7-3;4*1-2;/h6-9H,10H2,1-5H3;3-6H,1-2H3;7H,4,6H2,1-3H3;4*1-2H3;/q;-1;;;;;;.
What are the key properties of 2-N,2-dimethylpropane-1,2-diamine;2,3-dimethyl-4H-quinolin-4-ide;2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane;tungsten?
2-N,2-dimethylpropane-1,2-diamine;2,3-dimethyl-4H-quinolin-4-ide;2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane;tungsten has a molecular weight of 829.88 g/mol, XLogP of 10.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethylpropane-1,2-diamine;2,3-dimethyl-4H-quinolin-4-ide;2,3-dimethyl-4-(1,5,5-trimethyl-4H-imidazol-2-yl)quinoline;ethane;tungsten is sourced from PubChem (CID 160609968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).