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

C10H21NS2 — CID 79966257

IUPAC1-(1,4-dithian-2-yl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(C1CSCCS1)C(C)(C)C
InChIInChI=1S/C10H21NS2/c1-10(2,3)9(11-4)8-7-12-5-6-13-8/h8-9,11H,5-7H2,1-4H3
InChIKeyVGHRBMHWJKJANA-UHFFFAOYSA-N
MW219.42 g/mol
LogP2.47
Rot. Bonds2

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

1-(1,4-dithian-2-yl)-N,2,2-trimethylpropan-1-amine (PubChem CID 79966257) has the molecular formula C10H21NS2 and a molecular weight of 219.42 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-N,2,2-trimethylpropan-1-amine
PubChem CID79966257
Molecular FormulaC10H21NS2
Molecular Weight219.42 g/mol
Exact Mass219.11
IUPAC Name1-(1,4-dithian-2-yl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(C1CSCCS1)C(C)(C)C
InChIInChI=1S/C10H21NS2/c1-10(2,3)9(11-4)8-7-12-5-6-13-8/h8-9,11H,5-7H2,1-4H3
InChIKeyVGHRBMHWJKJANA-UHFFFAOYSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-methyl-2-propan-2-yloxyethanamine
CID 79965964
1-(1,4-dithian-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 79965770
1-(1,4-dithian-2-yl)-N-methylnonan-1-amine
CID 79965382
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
1-(1,4-dithian-2-yl)-N,3-dimethylhexan-1-amine
CID 79966638
1-(1,4-dithian-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 79966542
N-[(4-tert-butylphenyl)-(1,4-dithian-2-yl)methyl]propan-1-amine
CID 79961294
[1-(1,4-dithian-2-yl)-5-methylhexyl]hydrazine
CID 105249466
2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
CID 79966643
1-(1,4-dithian-2-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79965965

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(1,4-dithian-2-yl)-N,2,2-trimethylpropan-1-amine (CID 79966257) is 1-(1,4-dithian-2-yl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-N,2,2-trimethylpropan-1-amine is CNC(C1CSCCS1)C(C)(C)C.
What is the InChIKey of 1-(1,4-dithian-2-yl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is VGHRBMHWJKJANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS2/c1-10(2,3)9(11-4)8-7-12-5-6-13-8/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 1-(1,4-dithian-2-yl)-N,2,2-trimethylpropan-1-amine?
1-(1,4-dithian-2-yl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 219.42 g/mol, XLogP of 2.47, 2 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,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 79966257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).