N,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine

C12H22N2S — CID 106915888

IUPACN,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine
SMILESCNCC(C)CN(C)CCc1ccsc1
InChIInChI=1S/C12H22N2S/c1-11(8-13-2)9-14(3)6-4-12-5-7-15-10-12/h5,7,10-11,13H,4,6,8-9H2,1-3H3
InChIKeyFEGNEVRCWQXRBO-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.08
Rot. Bonds7

About N,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine

N,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine (PubChem CID 106915888) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine
PubChem CID106915888
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine
SMILESCNCC(C)CN(C)CCc1ccsc1
InChIInChI=1S/C12H22N2S/c1-11(8-13-2)9-14(3)6-4-12-5-7-15-10-12/h5,7,10-11,13H,4,6,8-9H2,1-3H3
InChIKeyFEGNEVRCWQXRBO-UHFFFAOYSA-N
XLogP2.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 43528180
3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 64996092
N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252931
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 62412873
N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62427011
2-N-cyclopropyl-1-N,3-dimethyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 55072560
N'-butan-2-yl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62560168
N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62575390
azane;3-propylthiophene
CID 174446539
N-methyl-N-(piperidin-4-ylmethyl)-2-thiophen-3-ylethanamine
CID 79716858
1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421195

Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine?
The IUPAC name of N,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine (CID 106915888) is N,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine?
The canonical SMILES for N,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine is CNCC(C)CN(C)CCc1ccsc1.
What is the InChIKey of N,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine?
The InChIKey is FEGNEVRCWQXRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-11(8-13-2)9-14(3)6-4-12-5-7-15-10-12/h5,7,10-11,13H,4,6,8-9H2,1-3H3.
What are the key properties of N,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine?
N,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine has a molecular weight of 226.39 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 106915888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).