1-N,2-N,2-trimethyl-1-N-(2,3,5,6-tetramethylphenyl)propane-1,2-diamine

C16H28N2 — CID 115222118

IUPAC1-N,2-N,2-trimethyl-1-N-(2,3,5,6-tetramethylphenyl)propane-1,2-diamine
SMILESCNC(C)(C)CN(C)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H28N2/c1-11-9-12(2)14(4)15(13(11)3)18(8)10-16(5,6)17-7/h9,17H,10H2,1-8H3
InChIKeyBTBHXLHTVAEZJF-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.35
Rot. Bonds4

About 1-N,2-N,2-trimethyl-1-N-(2,3,5,6-tetramethylphenyl)propane-1,2-diamine

1-N,2-N,2-trimethyl-1-N-(2,3,5,6-tetramethylphenyl)propane-1,2-diamine (PubChem CID 115222118) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N,2-N,2-trimethyl-1-N-(2,3,5,6-tetramethylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-trimethyl-1-N-(2,3,5,6-tetramethylphenyl)propane-1,2-diamine
PubChem CID115222118
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N,2-N,2-trimethyl-1-N-(2,3,5,6-tetramethylphenyl)propane-1,2-diamine
SMILESCNC(C)(C)CN(C)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H28N2/c1-11-9-12(2)14(4)15(13(11)3)18(8)10-16(5,6)17-7/h9,17H,10H2,1-8H3
InChIKeyBTBHXLHTVAEZJF-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N,2-trimethyl-1-N-(4-phenylphenyl)propane-1,2-diamine
CID 115222121
1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222109
N-methyl-2-(2,3,5,6-tetramethylphenyl)propan-2-amine
CID 82283215
1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine
CID 115222369
1-N-ethyl-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 62848035
1-N-(2,2-dimethylpropyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 62846953
1-N,4-N-dimethyl-4-N-(2,3,5,6-tetramethylphenyl)benzene-1,4-diamine
CID 117041371
(4-tert-butyl-N,2,6-trimethylanilino)methanol
CID 115228844
2-methyl-1-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propan-2-ol
CID 115137003
N,N'-bis(2,6-dimethylphenyl)-N,N',2,2-tetramethylpropane-1,3-diamine
CID 155394536
1-N-(1H-indol-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222133
1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 62848218

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-trimethyl-1-N-(2,3,5,6-tetramethylphenyl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-trimethyl-1-N-(2,3,5,6-tetramethylphenyl)propane-1,2-diamine (CID 115222118) is 1-N,2-N,2-trimethyl-1-N-(2,3,5,6-tetramethylphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-trimethyl-1-N-(2,3,5,6-tetramethylphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-trimethyl-1-N-(2,3,5,6-tetramethylphenyl)propane-1,2-diamine is CNC(C)(C)CN(C)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 1-N,2-N,2-trimethyl-1-N-(2,3,5,6-tetramethylphenyl)propane-1,2-diamine?
The InChIKey is BTBHXLHTVAEZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-11-9-12(2)14(4)15(13(11)3)18(8)10-16(5,6)17-7/h9,17H,10H2,1-8H3.
What are the key properties of 1-N,2-N,2-trimethyl-1-N-(2,3,5,6-tetramethylphenyl)propane-1,2-diamine?
1-N,2-N,2-trimethyl-1-N-(2,3,5,6-tetramethylphenyl)propane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-trimethyl-1-N-(2,3,5,6-tetramethylphenyl)propane-1,2-diamine is sourced from PubChem (CID 115222118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).