1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine

C10H21NS2 — CID 103345778

IUPAC1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)C1CSC(C)C(C)S1
InChIInChI=1S/C10H21NS2/c1-5-9(11-4)10-6-12-7(2)8(3)13-10/h7-11H,5-6H2,1-4H3
InChIKeyCUEBNJQHIPZLOU-UHFFFAOYSA-N
MW219.42 g/mol
LogP2.61
Rot. Bonds3

About 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine

1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine (PubChem CID 103345778) has the molecular formula C10H21NS2 and a molecular weight of 219.42 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine
PubChem CID103345778
Molecular FormulaC10H21NS2
Molecular Weight219.42 g/mol
Exact Mass219.11
IUPAC Name1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)C1CSC(C)C(C)S1
InChIInChI=1S/C10H21NS2/c1-5-9(11-4)10-6-12-7(2)8(3)13-10/h7-11H,5-6H2,1-4H3
InChIKeyCUEBNJQHIPZLOU-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

2-(n-Methyl)aminomethyl-1,4,8,11,14-pentathiacycloheptadecane
CID 11014152
3-Ethyl-2-methylthiomorpholine
CID 12517839
2,3-Dimethylthiomorpholine
CID 54594327
2,3,5,6-Tetramethylthio-morpholine
CID 57044051
N-methyltetrahydro-2H-thiopyran-4-amine
CID 21709907
Bis(2-(pentylthio)ethyl)amine
CID 101961546
2-Methyl-3-athyl-thiomorpholin-hydrochlorid
CID 129628631
N-butan-2-yl-1-(1,3-dithian-2-yl)hexan-2-amine
CID 134941715
1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 79965861
3-fluoro-N-methylthian-4-amine
CID 84649339
1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 103345760
N-(4,4,4-trifluorobutan-2-yl)thian-4-amine
CID 103901644

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine (CID 103345778) is 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine is CCC(NC)C1CSC(C)C(C)S1.
What is the InChIKey of 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine?
The InChIKey is CUEBNJQHIPZLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS2/c1-5-9(11-4)10-6-12-7(2)8(3)13-10/h7-11H,5-6H2,1-4H3.
What are the key properties of 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine?
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine has a molecular weight of 219.42 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 103345778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).