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

C8H17NS2 — CID 79966250

IUPAC1-(1,4-dithian-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)C1CSCCS1
InChIInChI=1S/C8H17NS2/c1-3-7(9-2)8-6-10-4-5-11-8/h7-9H,3-6H2,1-2H3
InChIKeyQCWSOKYMYRRANM-UHFFFAOYSA-N
MW191.36 g/mol
LogP1.83
Rot. Bonds3

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

1-(1,4-dithian-2-yl)-N-methylpropan-1-amine (PubChem CID 79966250) has the molecular formula C8H17NS2 and a molecular weight of 191.36 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-N-methylpropan-1-amine
PubChem CID79966250
Molecular FormulaC8H17NS2
Molecular Weight191.36 g/mol
Exact Mass191.08
IUPAC Name1-(1,4-dithian-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)C1CSCCS1
InChIInChI=1S/C8H17NS2/c1-3-7(9-2)8-6-10-4-5-11-8/h7-9H,3-6H2,1-2H3
InChIKeyQCWSOKYMYRRANM-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dithian-2-yl)-N-methylnonan-1-amine
CID 79965382
1-(1,4-dithian-2-yl)-N,3-dimethylhexan-1-amine
CID 79966638
1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 79965964
1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 79966538
1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 79966252
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
CID 79965768
[1-(1,4-dithian-2-yl)-5-methylhexyl]hydrazine
CID 105249466
1-(1,4-dithian-2-yl)-N,2,2-trimethylpropan-1-amine
CID 79966257
2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
CID 79966643
2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)-N-methylethanamine
CID 79965670
1-(1,4-dithian-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 79965484
1-(1,4-dithian-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine
CID 114200967

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(1,4-dithian-2-yl)-N-methylpropan-1-amine (CID 79966250) is 1-(1,4-dithian-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-N-methylpropan-1-amine is CCC(NC)C1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-N-methylpropan-1-amine?
The InChIKey is QCWSOKYMYRRANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS2/c1-3-7(9-2)8-6-10-4-5-11-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(1,4-dithian-2-yl)-N-methylpropan-1-amine?
1-(1,4-dithian-2-yl)-N-methylpropan-1-amine has a molecular weight of 191.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 79966250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).