N,N'-dimethyl-1-methylsulfanyl-N'-propan-2-ylmethanediamine

C7H18N2S — CID 123520155

IUPACN,N'-dimethyl-1-methylsulfanyl-N'-propan-2-ylmethanediamine
SMILESCNC(SC)N(C)C(C)C
InChIInChI=1S/C7H18N2S/c1-6(2)9(4)7(8-3)10-5/h6-8H,1-5H3
InChIKeyWPTFAFHXXKQXLK-UHFFFAOYSA-N
MW162.30 g/mol
LogP1.19
Rot. Bonds4

About N,N'-dimethyl-1-methylsulfanyl-N'-propan-2-ylmethanediamine

N,N'-dimethyl-1-methylsulfanyl-N'-propan-2-ylmethanediamine (PubChem CID 123520155) has the molecular formula C7H18N2S and a molecular weight of 162.30 g/mol. Its IUPAC name is N,N'-dimethyl-1-methylsulfanyl-N'-propan-2-ylmethanediamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-methylsulfanyl-N'-propan-2-ylmethanediamine
PubChem CID123520155
Molecular FormulaC7H18N2S
Molecular Weight162.30 g/mol
Exact Mass162.12
IUPAC NameN,N'-dimethyl-1-methylsulfanyl-N'-propan-2-ylmethanediamine
SMILESCNC(SC)N(C)C(C)C
InChIInChI=1S/C7H18N2S/c1-6(2)9(4)7(8-3)10-5/h6-8H,1-5H3
InChIKeyWPTFAFHXXKQXLK-UHFFFAOYSA-N
XLogP1.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[amino(methyl)amino]-N-methyl-1-methylsulfanylmethanamine
CID 163527015
N-methyl-N-(1-methylsulfanylethyl)propan-2-amine
CID 123638292
N-methyl-3-methylsulfanylbutan-2-amine
CID 58654798
N-[1-[1-[methyl(propan-2-yl)amino]ethoxy]ethyl]propan-2-amine
CID 176890605
1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine
CID 112665854
(2S)-N-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-amine
CID 166781330
(2R,3R)-3-methanidyl-N,4-dimethyl-N-propan-2-ylpentan-2-amine;yttrium
CID 59474981
3-N-methyl-3-N-propan-2-ylbutane-2,3-diamine
CID 61352164
3-[methyl(propan-2-yl)amino]butan-2-ol
CID 58823788
1-[methylamino(sulfanyl)amino]propan-2-ol
CID 174895381
N,N',N',N",N"-pentamethylmethanetriamine
CID 118529087
N"-butan-2-yl-N',N"-dimethylmethanetriamine
CID 129045479

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-methylsulfanyl-N'-propan-2-ylmethanediamine?
The IUPAC name of N,N'-dimethyl-1-methylsulfanyl-N'-propan-2-ylmethanediamine (CID 123520155) is N,N'-dimethyl-1-methylsulfanyl-N'-propan-2-ylmethanediamine.
What is the SMILES notation for N,N'-dimethyl-1-methylsulfanyl-N'-propan-2-ylmethanediamine?
The canonical SMILES for N,N'-dimethyl-1-methylsulfanyl-N'-propan-2-ylmethanediamine is CNC(SC)N(C)C(C)C.
What is the InChIKey of N,N'-dimethyl-1-methylsulfanyl-N'-propan-2-ylmethanediamine?
The InChIKey is WPTFAFHXXKQXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2S/c1-6(2)9(4)7(8-3)10-5/h6-8H,1-5H3.
What are the key properties of N,N'-dimethyl-1-methylsulfanyl-N'-propan-2-ylmethanediamine?
N,N'-dimethyl-1-methylsulfanyl-N'-propan-2-ylmethanediamine has a molecular weight of 162.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-methylsulfanyl-N'-propan-2-ylmethanediamine is sourced from PubChem (CID 123520155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).