1,1-dimethoxy-N,N-dimethylmethanamine;bis(1,5-dimethyl-2,4-dinitrobenzene);(E)-N,N-dimethyl-2-(5-methyl-2,4-dinitrophenyl)ethenamine;methane;5-methyl-1H-indol-6-amine;bis(1,3-xylene)

C60H84N10O14 — CID 162173755

IUPAC1,1-dimethoxy-N,N-dimethylmethanamine;bis(1,5-dimethyl-2,4-dinitrobenzene);(E)-N,N-dimethyl-2-(5-methyl-2,4-dinitrophenyl)ethenamine;methane;5-methyl-1H-indol-6-amine;bis(1,3-xylene)
SMILESC.C.C.COC(OC)N(C)C.Cc1cc(/C=C/N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-].Cc1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-].Cc1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-].Cc1cc2cc[nH]c2cc1N.Cc1cccc(C)c1.Cc1cccc(C)c1
InChIInChI=1S/C11H13N3O4.C9H10N2.2C8H8N2O4.2C8H10.C5H13NO2.3CH4/c1-8-6-9(4-5-12(2)3)11(14(17)18)7-10(8)13(15)16;1-6-4-7-2-3-11-9(7)5-8(6)10;2*1-5-3-6(2)8(10(13)14)4-7(5)9(11)12;2*1-7-4-3-5-8(2)6-7;1-6(2)5(7-3)8-4;;;/h4-7H,1-3H3;2-5,11H,10H2,1H3;2*3-4H,1-2H3;2*3-6H,1-2H3;5H,1-4H3;3*1H4/b5-4+;;;;;;;;;
InChIKeyZOCVXCCABNQBKA-PCDGNHDNSA-N
MW1169.39 g/mol
LogP15.28
Rot. Bonds11

About 1,1-dimethoxy-N,N-dimethylmethanamine;bis(1,5-dimethyl-2,4-dinitrobenzene);(E)-N,N-dimethyl-2-(5-methyl-2,4-dinitrophenyl)ethenamine;methane;5-methyl-1H-indol-6-amine;bis(1,3-xylene)

1,1-dimethoxy-N,N-dimethylmethanamine;bis(1,5-dimethyl-2,4-dinitrobenzene);(E)-N,N-dimethyl-2-(5-methyl-2,4-dinitrophenyl)ethenamine;methane;5-methyl-1H-indol-6-amine;bis(1,3-xylene) (PubChem CID 162173755) has the molecular formula C60H84N10O14 and a molecular weight of 1169.39 g/mol. Its IUPAC name is 1,1-dimethoxy-N,N-dimethylmethanamine;bis(1,5-dimethyl-2,4-dinitrobenzene);(E)-N,N-dimethyl-2-(5-methyl-2,4-dinitrophenyl)ethenamine;methane;5-methyl-1H-indol-6-amine;bis(1,3-xylene).

Molecular Properties

Compound Name1,1-dimethoxy-N,N-dimethylmethanamine;bis(1,5-dimethyl-2,4-dinitrobenzene);(E)-N,N-dimethyl-2-(5-methyl-2,4-dinitrophenyl)ethenamine;methane;5-methyl-1H-indol-6-amine;bis(1,3-xylene)
PubChem CID162173755
Molecular FormulaC60H84N10O14
Molecular Weight1169.39 g/mol
Exact Mass1168.62
IUPAC Name1,1-dimethoxy-N,N-dimethylmethanamine;bis(1,5-dimethyl-2,4-dinitrobenzene);(E)-N,N-dimethyl-2-(5-methyl-2,4-dinitrophenyl)ethenamine;methane;5-methyl-1H-indol-6-amine;bis(1,3-xylene)
SMILESC.C.C.COC(OC)N(C)C.Cc1cc(/C=C/N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-].Cc1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-].Cc1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-].Cc1cc2cc[nH]c2cc1N.Cc1cccc(C)c1.Cc1cccc(C)c1
InChIInChI=1S/C11H13N3O4.C9H10N2.2C8H8N2O4.2C8H10.C5H13NO2.3CH4/c1-8-6-9(4-5-12(2)3)11(14(17)18)7-10(8)13(15)16;1-6-4-7-2-3-11-9(7)5-8(6)10;2*1-5-3-6(2)8(10(13)14)4-7(5)9(11)12;2*1-7-4-3-5-8(2)6-7;1-6(2)5(7-3)8-4;;;/h4-7H,1-3H3;2-5,11H,10H2,1H3;2*3-4H,1-2H3;2*3-6H,1-2H3;5H,1-4H3;3*1H4/b5-4+;;;;;;;;;
InChIKeyZOCVXCCABNQBKA-PCDGNHDNSA-N
XLogP15.28
TPSA325.59 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001169.39
LogP ≤ 515.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-N,N-dimethylmethanamine;bis(1,5-dimethyl-2,4-dinitrobenzene);(E)-N,N-dimethyl-2-(5-methyl-2,4-dinitrophenyl)ethenamine;methane;5-methyl-1H-indol-6-amine;bis(1,3-xylene)?
The IUPAC name of 1,1-dimethoxy-N,N-dimethylmethanamine;bis(1,5-dimethyl-2,4-dinitrobenzene);(E)-N,N-dimethyl-2-(5-methyl-2,4-dinitrophenyl)ethenamine;methane;5-methyl-1H-indol-6-amine;bis(1,3-xylene) (CID 162173755) is 1,1-dimethoxy-N,N-dimethylmethanamine;bis(1,5-dimethyl-2,4-dinitrobenzene);(E)-N,N-dimethyl-2-(5-methyl-2,4-dinitrophenyl)ethenamine;methane;5-methyl-1H-indol-6-amine;bis(1,3-xylene).
What is the SMILES notation for 1,1-dimethoxy-N,N-dimethylmethanamine;bis(1,5-dimethyl-2,4-dinitrobenzene);(E)-N,N-dimethyl-2-(5-methyl-2,4-dinitrophenyl)ethenamine;methane;5-methyl-1H-indol-6-amine;bis(1,3-xylene)?
The canonical SMILES for 1,1-dimethoxy-N,N-dimethylmethanamine;bis(1,5-dimethyl-2,4-dinitrobenzene);(E)-N,N-dimethyl-2-(5-methyl-2,4-dinitrophenyl)ethenamine;methane;5-methyl-1H-indol-6-amine;bis(1,3-xylene) is C.C.C.COC(OC)N(C)C.Cc1cc(/C=C/N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-].Cc1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-].Cc1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-].Cc1cc2cc[nH]c2cc1N.Cc1cccc(C)c1.Cc1cccc(C)c1.
What is the InChIKey of 1,1-dimethoxy-N,N-dimethylmethanamine;bis(1,5-dimethyl-2,4-dinitrobenzene);(E)-N,N-dimethyl-2-(5-methyl-2,4-dinitrophenyl)ethenamine;methane;5-methyl-1H-indol-6-amine;bis(1,3-xylene)?
The InChIKey is ZOCVXCCABNQBKA-PCDGNHDNSA-N. The full InChI is InChI=1S/C11H13N3O4.C9H10N2.2C8H8N2O4.2C8H10.C5H13NO2.3CH4/c1-8-6-9(4-5-12(2)3)11(14(17)18)7-10(8)13(15)16;1-6-4-7-2-3-11-9(7)5-8(6)10;2*1-5-3-6(2)8(10(13)14)4-7(5)9(11)12;2*1-7-4-3-5-8(2)6-7;1-6(2)5(7-3)8-4;;;/h4-7H,1-3H3;2-5,11H,10H2,1H3;2*3-4H,1-2H3;2*3-6H,1-2H3;5H,1-4H3;3*1H4/b5-4+;;;;;;;;;.
What are the key properties of 1,1-dimethoxy-N,N-dimethylmethanamine;bis(1,5-dimethyl-2,4-dinitrobenzene);(E)-N,N-dimethyl-2-(5-methyl-2,4-dinitrophenyl)ethenamine;methane;5-methyl-1H-indol-6-amine;bis(1,3-xylene)?
1,1-dimethoxy-N,N-dimethylmethanamine;bis(1,5-dimethyl-2,4-dinitrobenzene);(E)-N,N-dimethyl-2-(5-methyl-2,4-dinitrophenyl)ethenamine;methane;5-methyl-1H-indol-6-amine;bis(1,3-xylene) has a molecular weight of 1169.39 g/mol, XLogP of 15.28, 11 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N,N-dimethylmethanamine;bis(1,5-dimethyl-2,4-dinitrobenzene);(E)-N,N-dimethyl-2-(5-methyl-2,4-dinitrophenyl)ethenamine;methane;5-methyl-1H-indol-6-amine;bis(1,3-xylene) is sourced from PubChem (CID 162173755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).