2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine

C12H28N2S — CID 112661269

IUPAC2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
SMILESCCC(CC)(CN)CN(C)C(C)CSC
InChIInChI=1S/C12H28N2S/c1-6-12(7-2,9-13)10-14(4)11(3)8-15-5/h11H,6-10,13H2,1-5H3
InChIKeyRGKBXCJJFVSQIR-UHFFFAOYSA-N
MW232.44 g/mol
LogP2.43
Rot. Bonds8

About 2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine

2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine (PubChem CID 112661269) has the molecular formula C12H28N2S and a molecular weight of 232.44 g/mol. Its IUPAC name is 2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
PubChem CID112661269
Molecular FormulaC12H28N2S
Molecular Weight232.44 g/mol
Exact Mass232.20
IUPAC Name2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
SMILESCCC(CC)(CN)CN(C)C(C)CSC
InChIInChI=1S/C12H28N2S/c1-6-12(7-2,9-13)10-14(4)11(3)8-15-5/h11H,6-10,13H2,1-5H3
InChIKeyRGKBXCJJFVSQIR-UHFFFAOYSA-N
XLogP2.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62264308
2,2-diethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 62257958
2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 106114990
N,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 112664989
N-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112664988
1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
CID 112658794
2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63965862
N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
CID 112661159
2,2-diethylbutan-1-amine;hydrochloride
CID 71756050
4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one
CID 112702867
2-N,2,5-trimethyl-2-N-(1-methylsulfanylpropan-2-yl)hexane-1,2-diamine
CID 112658708
2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide
CID 112666689

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine (CID 112661269) is 2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine is CCC(CC)(CN)CN(C)C(C)CSC.
What is the InChIKey of 2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
The InChIKey is RGKBXCJJFVSQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2S/c1-6-12(7-2,9-13)10-14(4)11(3)8-15-5/h11H,6-10,13H2,1-5H3.
What are the key properties of 2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine has a molecular weight of 232.44 g/mol, XLogP of 2.43, 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'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 112661269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).