2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine

C15H28N2S — CID 79668305

IUPAC2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C(C)c1sccc1C
InChIInChI=1S/C15H28N2S/c1-6-8-17(11-15(4,5)10-16)13(3)14-12(2)7-9-18-14/h7,9,13H,6,8,10-11,16H2,1-5H3
InChIKeyQFESHLUAUDEBDC-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.81
Rot. Bonds7

About 2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine

2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine (PubChem CID 79668305) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine
PubChem CID79668305
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C(C)c1sccc1C
InChIInChI=1S/C15H28N2S/c1-6-8-17(11-15(4,5)10-16)13(3)14-12(2)7-9-18-14/h7,9,13H,6,8,10-11,16H2,1-5H3
InChIKeyQFESHLUAUDEBDC-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine (CID 79668305) is 2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine is CCCN(CC(C)(C)CN)C(C)c1sccc1C.
What is the InChIKey of 2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine?
The InChIKey is QFESHLUAUDEBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-6-8-17(11-15(4,5)10-16)13(3)14-12(2)7-9-18-14/h7,9,13H,6,8,10-11,16H2,1-5H3.
What are the key properties of 2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine?
2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79668305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).