N,N-dimethylmethanamine;ethane;methanesulfonic acid;(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene

C28H45N3O3S — CID 91113750

IUPACN,N-dimethylmethanamine;ethane;methanesulfonic acid;(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene
SMILESCC.CC.CN(C)C.CS(=O)(=O)O.Cc1ccccc1/N=N/c1ccc2ccc(C)c(C)c2c1C
InChIInChI=1S/C20H20N2.C3H9N.2C2H6.CH4O3S/c1-13-9-10-17-11-12-19(16(4)20(17)15(13)3)22-21-18-8-6-5-7-14(18)2;1-4(2)3;2*1-2;1-5(2,3)4/h5-12H,1-4H3;1-3H3;2*1-2H3;1H3,(H,2,3,4)/b22-21+;;;;
InChIKeyKCLGHWHNZGHTIU-LUAAAXEOSA-N
MW503.75 g/mol
LogP8.22
Rot. Bonds2

About N,N-dimethylmethanamine;ethane;methanesulfonic acid;(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene

N,N-dimethylmethanamine;ethane;methanesulfonic acid;(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene (PubChem CID 91113750) has the molecular formula C28H45N3O3S and a molecular weight of 503.75 g/mol. Its IUPAC name is N,N-dimethylmethanamine;ethane;methanesulfonic acid;(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene.

Molecular Properties

Compound NameN,N-dimethylmethanamine;ethane;methanesulfonic acid;(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene
PubChem CID91113750
Molecular FormulaC28H45N3O3S
Molecular Weight503.75 g/mol
Exact Mass503.32
IUPAC NameN,N-dimethylmethanamine;ethane;methanesulfonic acid;(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene
SMILESCC.CC.CN(C)C.CS(=O)(=O)O.Cc1ccccc1/N=N/c1ccc2ccc(C)c(C)c2c1C
InChIInChI=1S/C20H20N2.C3H9N.2C2H6.CH4O3S/c1-13-9-10-17-11-12-19(16(4)20(17)15(13)3)22-21-18-8-6-5-7-14(18)2;1-4(2)3;2*1-2;1-5(2,3)4/h5-12H,1-4H3;1-3H3;2*1-2H3;1H3,(H,2,3,4)/b22-21+;;;;
InChIKeyKCLGHWHNZGHTIU-LUAAAXEOSA-N
XLogP8.22
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.75
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze N,N-dimethylmethanamine;ethane;methanesulfonic acid;(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene 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

5-amino-4-hydroxy-6-[(2-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;ethane
CID 136622133
3-hydrazinyl-2-methyl-6-[(2-methylphenyl)diazenyl]benzenesulfonic acid
CID 57182085
hydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium
CID 51063117
1-(aminodiazenyl)-2-methylbenzene
CID 21467423
methanesulfonic acid;2,3,4-trimethylaniline
CID 173451670
sulfuric acid;bis(1,2-xylene)
CID 174805286
8-methyl-5-[[4-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
CID 122680887
CID 158686379
CID 158686379
anthracene;ethane;methanesulfonic acid
CID 91545165
2-[(2,3-dimethylphenyl)diazenyl]-3,4-dimethylaniline
CID 88707327
ethane;(2-methylphenyl)-phenyldiazene;propane
CID 143988882
CID 90742332
CID 90742332

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;ethane;methanesulfonic acid;(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene?
The IUPAC name of N,N-dimethylmethanamine;ethane;methanesulfonic acid;(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene (CID 91113750) is N,N-dimethylmethanamine;ethane;methanesulfonic acid;(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene.
What is the SMILES notation for N,N-dimethylmethanamine;ethane;methanesulfonic acid;(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene?
The canonical SMILES for N,N-dimethylmethanamine;ethane;methanesulfonic acid;(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene is CC.CC.CN(C)C.CS(=O)(=O)O.Cc1ccccc1/N=N/c1ccc2ccc(C)c(C)c2c1C.
What is the InChIKey of N,N-dimethylmethanamine;ethane;methanesulfonic acid;(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene?
The InChIKey is KCLGHWHNZGHTIU-LUAAAXEOSA-N. The full InChI is InChI=1S/C20H20N2.C3H9N.2C2H6.CH4O3S/c1-13-9-10-17-11-12-19(16(4)20(17)15(13)3)22-21-18-8-6-5-7-14(18)2;1-4(2)3;2*1-2;1-5(2,3)4/h5-12H,1-4H3;1-3H3;2*1-2H3;1H3,(H,2,3,4)/b22-21+;;;;.
What are the key properties of N,N-dimethylmethanamine;ethane;methanesulfonic acid;(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene?
N,N-dimethylmethanamine;ethane;methanesulfonic acid;(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene has a molecular weight of 503.75 g/mol, XLogP of 8.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;ethane;methanesulfonic acid;(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene is sourced from PubChem (CID 91113750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).