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

C16H28N2 — CID 115255007

IUPAC2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine
SMILESCCC(CNC)CNCc1cc(C)c(C)cc1C
InChIInChI=1S/C16H28N2/c1-6-15(9-17-5)10-18-11-16-8-13(3)12(2)7-14(16)4/h7-8,15,17-18H,6,9-11H2,1-5H3
InChIKeyOTQOMQUTMFAIGV-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.95
Rot. Bonds7

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

2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine (PubChem CID 115255007) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine
PubChem CID115255007
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine
SMILESCCC(CNC)CNCc1cc(C)c(C)cc1C
InChIInChI=1S/C16H28N2/c1-6-15(9-17-5)10-18-11-16-8-13(3)12(2)7-14(16)4/h7-8,15,17-18H,6,9-11H2,1-5H3
InChIKeyOTQOMQUTMFAIGV-UHFFFAOYSA-N
XLogP2.95
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115255028
N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine
CID 115226858
1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine
CID 115196543
N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115255045
2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
CID 83142141
2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115254964
2-amino-3-[(2,4,5-trimethylphenyl)methylamino]propanoic acid
CID 115240689
N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine
CID 115251439
2-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylbutan-1-amine
CID 116931857
2-prop-2-enoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 114264043
N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine
CID 43220475
N-methyl-2-[2-(2,4,5-trimethylphenyl)ethyl]hex-5-en-1-amine
CID 139446991

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of 2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine (CID 115255007) is 2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine is CCC(CNC)CNCc1cc(C)c(C)cc1C.
What is the InChIKey of 2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine?
The InChIKey is OTQOMQUTMFAIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-15(9-17-5)10-18-11-16-8-13(3)12(2)7-14(16)4/h7-8,15,17-18H,6,9-11H2,1-5H3.
What are the key properties of 2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine?
2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 115255007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).