2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine

C15H26N2 — CID 115136129

IUPAC2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
SMILESCc1cc(C)c(CCNCC(C)(C)N)c(C)c1
InChIInChI=1S/C15H26N2/c1-11-8-12(2)14(13(3)9-11)6-7-17-10-15(4,5)16/h8-9,17H,6-7,10,16H2,1-5H3
InChIKeyKOMDDAHDAZJOCF-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.48
Rot. Bonds5

About 2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine

2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine (PubChem CID 115136129) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
PubChem CID115136129
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
SMILESCc1cc(C)c(CCNCC(C)(C)N)c(C)c1
InChIInChI=1S/C15H26N2/c1-11-8-12(2)14(13(3)9-11)6-7-17-10-15(4,5)16/h8-9,17H,6-7,10,16H2,1-5H3
InChIKeyKOMDDAHDAZJOCF-UHFFFAOYSA-N
XLogP2.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.48
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

2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol
CID 96661132
1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136100
2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine
CID 115136351
N-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195974
2-methyl-2-[2-(2,4,6-trimethylphenyl)ethylamino]propanenitrile
CID 115129556
2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine
CID 115136210
1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
CID 115136256
2,2,2-trifluoro-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethanamine
CID 115258054
2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide
CID 115260120
N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 110788028
2,2-dimethyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 63522164
N-[2-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 62549698

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine (CID 115136129) is 2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine is Cc1cc(C)c(CCNCC(C)(C)N)c(C)c1.
What is the InChIKey of 2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine?
The InChIKey is KOMDDAHDAZJOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11-8-12(2)14(13(3)9-11)6-7-17-10-15(4,5)16/h8-9,17H,6-7,10,16H2,1-5H3.
What are the key properties of 2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine?
2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 115136129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).