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

C14H26N2S — CID 62258016

IUPAC2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCC(CC)(CNC)CN(C)Cc1cccs1
InChIInChI=1S/C14H26N2S/c1-5-14(6-2,11-15-3)12-16(4)10-13-8-7-9-17-13/h7-9,15H,5-6,10-12H2,1-4H3
InChIKeyMVTGNMRZXSASKI-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.21
Rot. Bonds8

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

2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 62258016) 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-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID62258016
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCC(CC)(CNC)CN(C)Cc1cccs1
InChIInChI=1S/C14H26N2S/c1-5-14(6-2,11-15-3)12-16(4)10-13-8-7-9-17-13/h7-9,15H,5-6,10-12H2,1-4H3
InChIKeyMVTGNMRZXSASKI-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,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 55051533
2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 55051728
2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62256448
2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine
CID 63773571
N-[(4-chlorophenyl)methyl]-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine
CID 62260740
N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62725876
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
N,N'-dimethyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 103069346
2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol
CID 55055329
N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560031
1-ethyl-2-methyl-1-(thiophen-2-ylmethyl)hydrazine
CID 144592407
1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 43649767

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 62258016) is 2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is CCC(CC)(CNC)CN(C)Cc1cccs1.
What is the InChIKey of 2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is MVTGNMRZXSASKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-5-14(6-2,11-15-3)12-16(4)10-13-8-7-9-17-13/h7-9,15H,5-6,10-12H2,1-4H3.
What are the key properties of 2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-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-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62258016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).