N,2-dimethyl-2-methylsulfanylpropan-1-amine;2-methyl-2-methylsulfanylpropan-1-amine

C11H28N2S2 — CID 160788676

IUPACN,2-dimethyl-2-methylsulfanylpropan-1-amine;2-methyl-2-methylsulfanylpropan-1-amine
SMILESCNCC(C)(C)SC.CSC(C)(C)CN
InChIInChI=1S/C6H15NS.C5H13NS/c1-6(2,8-4)5-7-3;1-5(2,4-6)7-3/h7H,5H2,1-4H3;4,6H2,1-3H3
InChIKeySBOAEOGELZGLSI-UHFFFAOYSA-N
MW252.49 g/mol
LogP2.43
Rot. Bonds5

About N,2-dimethyl-2-methylsulfanylpropan-1-amine;2-methyl-2-methylsulfanylpropan-1-amine

N,2-dimethyl-2-methylsulfanylpropan-1-amine;2-methyl-2-methylsulfanylpropan-1-amine (PubChem CID 160788676) has the molecular formula C11H28N2S2 and a molecular weight of 252.49 g/mol. Its IUPAC name is N,2-dimethyl-2-methylsulfanylpropan-1-amine;2-methyl-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-methylsulfanylpropan-1-amine;2-methyl-2-methylsulfanylpropan-1-amine
PubChem CID160788676
Molecular FormulaC11H28N2S2
Molecular Weight252.49 g/mol
Exact Mass252.17
IUPAC NameN,2-dimethyl-2-methylsulfanylpropan-1-amine;2-methyl-2-methylsulfanylpropan-1-amine
SMILESCNCC(C)(C)SC.CSC(C)(C)CN
InChIInChI=1S/C6H15NS.C5H13NS/c1-6(2,8-4)5-7-3;1-5(2,4-6)7-3/h7H,5H2,1-4H3;4,6H2,1-3H3
InChIKeySBOAEOGELZGLSI-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.49
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

2-methylsulfanyl-N-(2-methylsulfanylpropyl)propan-1-amine
CID 54325896
1,1,1,1-Tetramethyl-1lambda6,2-dithia-5,9-diazacycloundecane
CID 56975689
2-Methyl-1-(methylamino)-1-[[2-methyl-1-(methylamino)-2-sulfanylpropyl]disulfanyl]propane-2-thiol
CID 57154416
N-[[tert-butyl(methylidene)-lambda4-sulfanyl]methyl]-2,2-dimethylpropan-1-amine
CID 58200095
N,2-dimethyl-2-methylsulfinothioylpropan-1-amine
CID 59440096
Methyl[2-methyl-2-(methylsulfanyl)propyl]amine
CID 88989353
N-methyl-3-[3-(methylamino)propyldisulfanyl]propan-1-amine
CID 89407677
2-methyl-N-(2-methylpropyl)-2-methylsulfanylpropan-1-amine
CID 115876651
2-[dimethyl(propan-2-yl)-lambda4-sulfanyl]-N,2-dimethylpropan-1-amine
CID 132182315
2-(aminomethyl)-N'-methyl-2-methylsulfanylpropane-1,3-diamine
CID 139337564
3,3,10,10-Tetramethyl-1,2-dithia-5,8-diazacyclodec-6-yne
CID 142664047
(1S)-1-(tert-butyldisulfanyl)-N-methylpropan-1-amine
CID 154990411

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-methylsulfanylpropan-1-amine;2-methyl-2-methylsulfanylpropan-1-amine?
The IUPAC name of N,2-dimethyl-2-methylsulfanylpropan-1-amine;2-methyl-2-methylsulfanylpropan-1-amine (CID 160788676) is N,2-dimethyl-2-methylsulfanylpropan-1-amine;2-methyl-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-methylsulfanylpropan-1-amine;2-methyl-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N,2-dimethyl-2-methylsulfanylpropan-1-amine;2-methyl-2-methylsulfanylpropan-1-amine is CNCC(C)(C)SC.CSC(C)(C)CN.
What is the InChIKey of N,2-dimethyl-2-methylsulfanylpropan-1-amine;2-methyl-2-methylsulfanylpropan-1-amine?
The InChIKey is SBOAEOGELZGLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS.C5H13NS/c1-6(2,8-4)5-7-3;1-5(2,4-6)7-3/h7H,5H2,1-4H3;4,6H2,1-3H3.
What are the key properties of N,2-dimethyl-2-methylsulfanylpropan-1-amine;2-methyl-2-methylsulfanylpropan-1-amine?
N,2-dimethyl-2-methylsulfanylpropan-1-amine;2-methyl-2-methylsulfanylpropan-1-amine has a molecular weight of 252.49 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-methylsulfanylpropan-1-amine;2-methyl-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 160788676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).