N,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine

C15H26N2S — CID 28613557

IUPACN,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine
SMILESCSc1ccc(CNCC(C)(C)CN(C)C)cc1
InChIInChI=1S/C15H26N2S/c1-15(2,12-17(3)4)11-16-10-13-6-8-14(18-5)9-7-13/h6-9,16H,10-12H2,1-5H3
InChIKeyFFPBAWKVOSWMSS-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.09
Rot. Bonds7

About N,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine

N,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine (PubChem CID 28613557) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine
PubChem CID28613557
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine
SMILESCSc1ccc(CNCC(C)(C)CN(C)C)cc1
InChIInChI=1S/C15H26N2S/c1-15(2,12-17(3)4)11-16-10-13-6-8-14(18-5)9-7-13/h6-9,16H,10-12H2,1-5H3
InChIKeyFFPBAWKVOSWMSS-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 115523400
2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 115656215
2-methyl-3-[(4-methylsulfanylphenyl)methylamino]propane-1,2-diol
CID 66171306
2-[4-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]phenoxy]acetonitrile
CID 43220892
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43090366
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 60871062
N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 102909185
N,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine
CID 60869612
N,N,2,2-tetramethyl-N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propane-1,3-diamine
CID 62096477
N-[(4-methylsulfanylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60699641
2-ethyl-2-[[(4-methylsulfanylphenyl)methylamino]methyl]butanoic acid
CID 122129227
N-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 61401469

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine (CID 28613557) is N,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine is CSc1ccc(CNCC(C)(C)CN(C)C)cc1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine?
The InChIKey is FFPBAWKVOSWMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-15(2,12-17(3)4)11-16-10-13-6-8-14(18-5)9-7-13/h6-9,16H,10-12H2,1-5H3.
What are the key properties of N,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine has a molecular weight of 266.45 g/mol, XLogP of 3.09, 7 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'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 28613557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).