2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine

C17H30N2 — CID 115255184

IUPAC2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCCc1ccc(CCN(C)CC(CC)CNC)cc1
InChIInChI=1S/C17H30N2/c1-5-15-7-9-17(10-8-15)11-12-19(4)14-16(6-2)13-18-3/h7-10,16,18H,5-6,11-14H2,1-4H3
InChIKeyMWYSXTLVVSUCBG-UHFFFAOYSA-N
MW262.44 g/mol
LogP2.97
Rot. Bonds9

About 2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine

2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine (PubChem CID 115255184) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
PubChem CID115255184
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCCc1ccc(CCN(C)CC(CC)CNC)cc1
InChIInChI=1S/C17H30N2/c1-5-15-7-9-17(10-8-15)11-12-19(4)14-16(6-2)13-18-3/h7-10,16,18H,5-6,11-14H2,1-4H3
InChIKeyMWYSXTLVVSUCBG-UHFFFAOYSA-N
XLogP2.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile
CID 115254101
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 115255197
N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252931
4-amino-1-[2-(4-ethylphenyl)ethyl-methylamino]butan-2-ol
CID 117039279
N'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251716
N-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 115255075
2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol
CID 115251116
4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline
CID 115212571
N,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine
CID 106915888
1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 115196909
2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine
CID 65487022
N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207125

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine (CID 115255184) is 2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine is CCc1ccc(CCN(C)CC(CC)CNC)cc1.
What is the InChIKey of 2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is MWYSXTLVVSUCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-15-7-9-17(10-8-15)11-12-19(4)14-16(6-2)13-18-3/h7-10,16,18H,5-6,11-14H2,1-4H3.
What are the key properties of 2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine?
2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115255184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).