2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine

C14H26N2S — CID 55051728

IUPAC2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
SMILESCCC(CC)(CNC)CN(C)Cc1ccsc1
InChIInChI=1S/C14H26N2S/c1-5-14(6-2,11-15-3)12-16(4)9-13-7-8-17-10-13/h7-8,10,15H,5-6,9,11-12H2,1-4H3
InChIKeyVVAWXVHMRJZWJS-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.21
Rot. Bonds8

About 2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine

2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine (PubChem CID 55051728) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
PubChem CID55051728
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
SMILESCCC(CC)(CNC)CN(C)Cc1ccsc1
InChIInChI=1S/C14H26N2S/c1-5-14(6-2,11-15-3)12-16(4)9-13-7-8-17-10-13/h7-8,10,15H,5-6,9,11-12H2,1-4H3
InChIKeyVVAWXVHMRJZWJS-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62258544
N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine
CID 62260740
2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258016
2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine
CID 62723225
1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 66452759
N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62258731
1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62487214
N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61386692
1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 43528180
2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol
CID 66038642
1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421195
4-[[2-ethyl-2-(methylaminomethyl)butyl]-methylamino]phenol
CID 62263957

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine (CID 55051728) is 2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine is CCC(CC)(CNC)CN(C)Cc1ccsc1.
What is the InChIKey of 2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The InChIKey is VVAWXVHMRJZWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-5-14(6-2,11-15-3)12-16(4)9-13-7-8-17-10-13/h7-8,10,15H,5-6,9,11-12H2,1-4H3.
What are the key properties of 2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 55051728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).