1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine

C13H24N2S — CID 66452759

IUPAC1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
SMILESCNC(C)C(C)(C)CN(C)Cc1ccsc1
InChIInChI=1S/C13H24N2S/c1-11(14-4)13(2,3)10-15(5)8-12-6-7-16-9-12/h6-7,9,11,14H,8,10H2,1-5H3
InChIKeyNPBQDJSLUDAWNL-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.81
Rot. Bonds6

About 1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine

1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine (PubChem CID 66452759) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
PubChem CID66452759
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
SMILESCNC(C)C(C)(C)CN(C)Cc1ccsc1
InChIInChI=1S/C13H24N2S/c1-11(14-4)13(2,3)10-15(5)8-12-6-7-16-9-12/h6-7,9,11,14H,8,10H2,1-5H3
InChIKeyNPBQDJSLUDAWNL-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62487214
2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 55051728
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62258544
2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62422105
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116
3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 64996092
4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol
CID 62624282
1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 43528180
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62643783
N,2,2-trimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 39966816
1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421944

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine (CID 66452759) is 1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine is CNC(C)C(C)(C)CN(C)Cc1ccsc1.
What is the InChIKey of 1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
The InChIKey is NPBQDJSLUDAWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-11(14-4)13(2,3)10-15(5)8-12-6-7-16-9-12/h6-7,9,11,14H,8,10H2,1-5H3.
What are the key properties of 1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine?
1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine has a molecular weight of 240.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 66452759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).