1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine

C10H21NOS2 — CID 79965964

IUPAC1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNC(COC(C)C)C1CSCCS1
InChIInChI=1S/C10H21NOS2/c1-8(2)12-6-9(11-3)10-7-13-4-5-14-10/h8-11H,4-7H2,1-3H3
InChIKeyOUKWASNFMQZPHO-UHFFFAOYSA-N
MW235.42 g/mol
LogP1.85
Rot. Bonds5

About 1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine

1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine (PubChem CID 79965964) has the molecular formula C10H21NOS2 and a molecular weight of 235.42 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine
PubChem CID79965964
Molecular FormulaC10H21NOS2
Molecular Weight235.42 g/mol
Exact Mass235.11
IUPAC Name1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNC(COC(C)C)C1CSCCS1
InChIInChI=1S/C10H21NOS2/c1-8(2)12-6-9(11-3)10-7-13-4-5-14-10/h8-11H,4-7H2,1-3H3
InChIKeyOUKWASNFMQZPHO-UHFFFAOYSA-N
XLogP1.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dithian-2-yl)-N-methylpropan-1-amine
CID 79966250
1-(1,4-dithian-2-yl)-N,3-dimethylhexan-1-amine
CID 79966638
1-(1,4-dithian-2-yl)-N-methylnonan-1-amine
CID 79965382
[1-(1,4-dithian-2-yl)-5-methylhexyl]hydrazine
CID 105249466
1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 79966252
1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 79966538
[2-propan-2-yloxy-1-(thiolan-3-yl)ethyl]hydrazine
CID 105323843
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
CID 79965768
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
1-(1,4-dithian-2-yl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794154
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-methyl-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine (CID 79965964) is 1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine is CNC(COC(C)C)C1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine?
The InChIKey is OUKWASNFMQZPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS2/c1-8(2)12-6-9(11-3)10-7-13-4-5-14-10/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine?
1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine has a molecular weight of 235.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 79965964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).