2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine

C8H20N2S — CID 112658217

IUPAC2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
SMILESCSCCN(C)C(C)(C)CN
InChIInChI=1S/C8H20N2S/c1-8(2,7-9)10(3)5-6-11-4/h5-7,9H2,1-4H3
InChIKeyLCXVDIBEKORRIW-UHFFFAOYSA-N
MW176.33 g/mol
LogP1.02
Rot. Bonds5

About 2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine

2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine (PubChem CID 112658217) has the molecular formula C8H20N2S and a molecular weight of 176.33 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
PubChem CID112658217
Molecular FormulaC8H20N2S
Molecular Weight176.33 g/mol
Exact Mass176.13
IUPAC Name2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
SMILESCSCCN(C)C(C)(C)CN
InChIInChI=1S/C8H20N2S/c1-8(2,7-9)10(3)5-6-11-4/h5-7,9H2,1-4H3
InChIKeyLCXVDIBEKORRIW-UHFFFAOYSA-N
XLogP1.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N'-methyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine
CID 116616259
2-Methyl-2-(thiomorpholin-4-yl)propan-1-amine
CID 28787056
2-methyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
CID 57957361
3-Tert-butyl-1,3-thiazolidin-5-amine
CID 69431841
N'-butan-2-yl-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 105964305
N'-methyl-N-(2-methylsulfanylethyl)-N'-propan-2-ylethane-1,2-diamine
CID 116094885
N'-tert-butyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118584945
N'-tert-butyl-N-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine
CID 118584983
N'-tert-butyl-N-(2-methylsulfanylethyl)-N'-propan-2-ylethane-1,2-diamine
CID 118584998
N'-butyl-N'-tert-butyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585009
N-(2-methylsulfanylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 118585010
N'-butan-2-yl-N-(2-methylsulfanylethyl)-N'-propylethane-1,2-diamine
CID 118585013

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine (CID 112658217) is 2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine is CSCCN(C)C(C)(C)CN.
What is the InChIKey of 2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
The InChIKey is LCXVDIBEKORRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S/c1-8(2,7-9)10(3)5-6-11-4/h5-7,9H2,1-4H3.
What are the key properties of 2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine has a molecular weight of 176.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine is sourced from PubChem (CID 112658217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).