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

C16H28N2 — CID 116960845

IUPAC2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
SMILESCCC(CNC)C(NC)c1ccc(C)c(C)c1C
InChIInChI=1S/C16H28N2/c1-7-14(10-17-5)16(18-6)15-9-8-11(2)12(3)13(15)4/h8-9,14,16-18H,7,10H2,1-6H3
InChIKeyCHMCFOQJGUVCEF-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.12
Rot. Bonds6

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

2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine (PubChem CID 116960845) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
PubChem CID116960845
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
SMILESCCC(CNC)C(NC)c1ccc(C)c(C)c1C
InChIInChI=1S/C16H28N2/c1-7-14(10-17-5)16(18-6)15-9-8-11(2)12(3)13(15)4/h8-9,14,16-18H,7,10H2,1-6H3
InChIKeyCHMCFOQJGUVCEF-UHFFFAOYSA-N
XLogP3.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile
CID 116960620
2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine
CID 116960840
2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol
CID 116957579
2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116960807
N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960302
N'-ethyl-N-methyl-1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116950402
1-(1-benzothiophen-3-yl)-2-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 116960844
2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid
CID 116961134
2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990589
N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine
CID 116931239
N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116949515
ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate
CID 116961364

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine (CID 116960845) is 2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine is CCC(CNC)C(NC)c1ccc(C)c(C)c1C.
What is the InChIKey of 2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine?
The InChIKey is CHMCFOQJGUVCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-7-14(10-17-5)16(18-6)15-9-8-11(2)12(3)13(15)4/h8-9,14,16-18H,7,10H2,1-6H3.
What are the key properties of 2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine?
2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine is sourced from PubChem (CID 116960845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).