2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine

C15H26N2 — CID 116946494

IUPAC2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
SMILESCCC(CNC)C(N)c1cc(C)c(C)cc1C
InChIInChI=1S/C15H26N2/c1-6-13(9-17-5)15(16)14-8-11(3)10(2)7-12(14)4/h7-8,13,15,17H,6,9,16H2,1-5H3
InChIKeyVJUYDZVOFHZSLS-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.86
Rot. Bonds5

About 2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine

2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine (PubChem CID 116946494) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
PubChem CID116946494
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
SMILESCCC(CNC)C(N)c1cc(C)c(C)cc1C
InChIInChI=1S/C15H26N2/c1-6-13(9-17-5)15(16)14-8-11(3)10(2)7-12(14)4/h7-8,13,15,17H,6,9,16H2,1-5H3
InChIKeyVJUYDZVOFHZSLS-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116945487
2-[amino-(2,4,5-trimethylphenyl)methyl]butan-1-ol
CID 116945330
2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 64989658
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 116946510
2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990589
N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine
CID 116964332
3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol
CID 116835502
2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine
CID 116946508
2-ethyl-N'-methyl-1-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 116946507
2-ethyl-1-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 116946443
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990669
2-methyl-1-(2,4,5-trimethylphenyl)hexan-1-amine
CID 114246454

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine (CID 116946494) is 2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine is CCC(CNC)C(N)c1cc(C)c(C)cc1C.
What is the InChIKey of 2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine?
The InChIKey is VJUYDZVOFHZSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-13(9-17-5)15(16)14-8-11(3)10(2)7-12(14)4/h7-8,13,15,17H,6,9,16H2,1-5H3.
What are the key properties of 2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine?
2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine is sourced from PubChem (CID 116946494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).