N-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine

C15H26N2 — CID 115201667

IUPACN-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine
SMILESCNCCCCNc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C15H26N2/c1-11-10-12(2)14(4)15(13(11)3)17-9-7-6-8-16-5/h10,16-17H,6-9H2,1-5H3
InChIKeyXCCIFAZQMRWLJB-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.33
Rot. Bonds6

About N-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine

N-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine (PubChem CID 115201667) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine
PubChem CID115201667
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine
SMILESCNCCCCNc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C15H26N2/c1-11-10-12(2)14(4)15(13(11)3)17-9-7-6-8-16-5/h10,16-17H,6-9H2,1-5H3
InChIKeyXCCIFAZQMRWLJB-UHFFFAOYSA-N
XLogP3.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3,5,6-tetramethylanilino)propan-1-ol
CID 115216623
3-methyl-4-[4-(methylamino)butylamino]cyclobut-3-ene-1,2-dione
CID 139376668
2,4-dimethyl-3-N-tetradecylbenzene-1,3,5-triamine
CID 87803959
N,N'-dimethyl-N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine
CID 115197901
2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine
CID 163790181
N,N'-bis(2,6-dimethylphenyl)butane-1,4-diamine
CID 10982540
N-methyl-N'-(6,7,8-trimethyl-3-pent-1-en-2-ylquinolin-4-yl)propane-1,3-diamine
CID 142599476
N'-(4-chloro-2-methylphenyl)-N-methylpropane-1,3-diamine
CID 18324833
3-ethyl-4-[4-(methylamino)butylamino]cyclobut-3-ene-1,2-dithione
CID 139376715
N'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine
CID 115201007
3-(2,3,5,6-tetramethylanilino)propane-1,2-diol
CID 115121873
N'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine
CID 115197692

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine?
The IUPAC name of N-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine (CID 115201667) is N-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine.
What is the SMILES notation for N-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine?
The canonical SMILES for N-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine is CNCCCCNc1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine?
The InChIKey is XCCIFAZQMRWLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11-10-12(2)14(4)15(13(11)3)17-9-7-6-8-16-5/h10,16-17H,6-9H2,1-5H3.
What are the key properties of N-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine?
N-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine is sourced from PubChem (CID 115201667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).