N-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine

C14H32N2S — CID 112664988

IUPACN-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
SMILESCSCC(C)N(C)CC(C)(C)CNC(C)(C)C
InChIInChI=1S/C14H32N2S/c1-12(9-17-8)16(7)11-14(5,6)10-15-13(2,3)4/h12,15H,9-11H2,1-8H3
InChIKeyKZTZKZKEOHKLER-UHFFFAOYSA-N
MW260.49 g/mol
LogP3.08
Rot. Bonds7

About N-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine

N-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine (PubChem CID 112664988) has the molecular formula C14H32N2S and a molecular weight of 260.49 g/mol. Its IUPAC name is N-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
PubChem CID112664988
Molecular FormulaC14H32N2S
Molecular Weight260.49 g/mol
Exact Mass260.23
IUPAC NameN-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
SMILESCSCC(C)N(C)CC(C)(C)CNC(C)(C)C
InChIInChI=1S/C14H32N2S/c1-12(9-17-8)16(7)11-14(5,6)10-15-13(2,3)4/h12,15H,9-11H2,1-8H3
InChIKeyKZTZKZKEOHKLER-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-N-(1-methylsulfanylpropan-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 112664989
N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 112664882
2-methyl-N-[[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]methyl]propan-2-amine
CID 115987875
N-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 62260568
2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112661269
2-methyl-N-[[5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 112665944
N-tert-butyl-N',2,2-trimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62257915
2-methyl-N-[[3-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 112664942
2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-methylamino]ethanol
CID 62257238
2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 115987892
1-N-tert-butyl-2-N,3-dimethyl-2-N-(2-methylsulfanylethyl)butane-1,2-diamine
CID 112665623
N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62257806

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine (CID 112664988) is N-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine is CSCC(C)N(C)CC(C)(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
The InChIKey is KZTZKZKEOHKLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2S/c1-12(9-17-8)16(7)11-14(5,6)10-15-13(2,3)4/h12,15H,9-11H2,1-8H3.
What are the key properties of N-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine?
N-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine has a molecular weight of 260.49 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',2,2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 112664988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).