N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine

C11H24N2S — CID 112665966

IUPACN-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine
SMILESCNCC1CCC1N(C)C(C)CSC
InChIInChI=1S/C11H24N2S/c1-9(8-14-4)13(3)11-6-5-10(11)7-12-2/h9-12H,5-8H2,1-4H3
InChIKeyCJTQGMOVPGZFGZ-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.67
Rot. Bonds6

About N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine

N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine (PubChem CID 112665966) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine
PubChem CID112665966
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC NameN-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine
SMILESCNCC1CCC1N(C)C(C)CSC
InChIInChI=1S/C11H24N2S/c1-9(8-14-4)13(3)11-6-5-10(11)7-12-2/h9-12H,5-8H2,1-4H3
InChIKeyCJTQGMOVPGZFGZ-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine?
The IUPAC name of N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine (CID 112665966) is N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine?
The canonical SMILES for N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine is CNCC1CCC1N(C)C(C)CSC.
What is the InChIKey of N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine?
The InChIKey is CJTQGMOVPGZFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-9(8-14-4)13(3)11-6-5-10(11)7-12-2/h9-12H,5-8H2,1-4H3.
What are the key properties of N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine?
N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine has a molecular weight of 216.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 112665966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).