2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine

C12H28N2S — CID 112666053

IUPAC2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
SMILESCCC(C)(C)NCC(C)N(C)CCSC
InChIInChI=1S/C12H28N2S/c1-7-12(3,4)13-10-11(2)14(5)8-9-15-6/h11,13H,7-10H2,1-6H3
InChIKeyHRJLWJCQKKSXNN-UHFFFAOYSA-N
MW232.44 g/mol
LogP2.45
Rot. Bonds8

About 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine

2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine (PubChem CID 112666053) has the molecular formula C12H28N2S and a molecular weight of 232.44 g/mol. Its IUPAC name is 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
PubChem CID112666053
Molecular FormulaC12H28N2S
Molecular Weight232.44 g/mol
Exact Mass232.20
IUPAC Name2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
SMILESCCC(C)(C)NCC(C)N(C)CCSC
InChIInChI=1S/C12H28N2S/c1-7-12(3,4)13-10-11(2)14(5)8-9-15-6/h11,13H,7-10H2,1-6H3
InChIKeyHRJLWJCQKKSXNN-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine
CID 62568783
2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62558337
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine
CID 62569145
1-N-tert-butyl-2-N,3-dimethyl-2-N-(2-methylsulfanylethyl)butane-1,2-diamine
CID 112665623
2-N-butan-2-yl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62568252
3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine
CID 112665568
N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62554689
2-N-methyl-2-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 112665572
3-[methyl(2-methylsulfanylethyl)amino]butanethioamide
CID 112659818
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62447273
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63691618
2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine
CID 62568016

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine (CID 112666053) is 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine is CCC(C)(C)NCC(C)N(C)CCSC.
What is the InChIKey of 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
The InChIKey is HRJLWJCQKKSXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2S/c1-7-12(3,4)13-10-11(2)14(5)8-9-15-6/h11,13H,7-10H2,1-6H3.
What are the key properties of 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine has a molecular weight of 232.44 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine is sourced from PubChem (CID 112666053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).