N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine

C12H28N2S — CID 112664882

IUPACN,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
SMILESCCC(CSC)N(C)CC(C)(C)CNC
InChIInChI=1S/C12H28N2S/c1-7-11(8-15-6)14(5)10-12(2,3)9-13-4/h11,13H,7-10H2,1-6H3
InChIKeySCUPSDKSGSWOFV-UHFFFAOYSA-N
MW232.44 g/mol
LogP2.31
Rot. Bonds8

About N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine

N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine (PubChem CID 112664882) has the molecular formula C12H28N2S and a molecular weight of 232.44 g/mol. Its IUPAC name is N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
PubChem CID112664882
Molecular FormulaC12H28N2S
Molecular Weight232.44 g/mol
Exact Mass232.20
IUPAC NameN,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
SMILESCCC(CSC)N(C)CC(C)(C)CNC
InChIInChI=1S/C12H28N2S/c1-7-11(8-15-6)14(5)10-12(2,3)9-13-4/h11,13H,7-10H2,1-6H3
InChIKeySCUPSDKSGSWOFV-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine
CID 112663720
2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol
CID 112665129
2,2-difluoro-N,N'-dimethyl-N'-pentan-3-ylpropane-1,3-diamine
CID 165461902
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
2-ethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butanal
CID 112664539
1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropane-1,2-diamine
CID 112660985
1-(tert-butylamino)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propan-2-ol
CID 112658783
3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-methylsulfanylbutan-2-yl)pentane-1,3-diamine
CID 112664841
N,N',2,2-tetramethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63964315
N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 103071191
N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 103067950

Frequently Asked Questions

What is the IUPAC name of N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine?
The IUPAC name of N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine (CID 112664882) is N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine?
The canonical SMILES for N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine is CCC(CSC)N(C)CC(C)(C)CNC.
What is the InChIKey of N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine?
The InChIKey is SCUPSDKSGSWOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2S/c1-7-11(8-15-6)14(5)10-12(2,3)9-13-4/h11,13H,7-10H2,1-6H3.
What are the key properties of N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine?
N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine has a molecular weight of 232.44 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 112664882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).