N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-methoxyethyl]propan-1-amine

C12H25NOS2 — CID 103346440

IUPACN-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-methoxyethyl]propan-1-amine
SMILESCCCNC(COC)C1CSC(C)C(C)S1
InChIInChI=1S/C12H25NOS2/c1-5-6-13-11(7-14-4)12-8-15-9(2)10(3)16-12/h9-13H,5-8H2,1-4H3
InChIKeyMKHCTJSUOZVZAL-UHFFFAOYSA-N
MW263.47 g/mol
LogP2.63
Rot. Bonds6

About N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-methoxyethyl]propan-1-amine

N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-methoxyethyl]propan-1-amine (PubChem CID 103346440) has the molecular formula C12H25NOS2 and a molecular weight of 263.47 g/mol. Its IUPAC name is N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-methoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-methoxyethyl]propan-1-amine
PubChem CID103346440
Molecular FormulaC12H25NOS2
Molecular Weight263.47 g/mol
Exact Mass263.14
IUPAC NameN-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-methoxyethyl]propan-1-amine
SMILESCCCNC(COC)C1CSC(C)C(C)S1
InChIInChI=1S/C12H25NOS2/c1-5-6-13-11(7-14-4)12-8-15-9(2)10(3)16-12/h9-13H,5-8H2,1-4H3
InChIKeyMKHCTJSUOZVZAL-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 103346362
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine
CID 103346227
N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 103346410
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine
CID 103345778
N-[2-(3-chloro-4-pyridinyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 103346402
4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 103346418
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 103346465
N-[(2,6-difluorophenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]propan-1-amine
CID 103346404
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(furan-3-yl)methyl]propan-1-amine
CID 103346481
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-2-methylbutan-1-amine
CID 103346152
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 103346428
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 103346159

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-methoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-methoxyethyl]propan-1-amine (CID 103346440) is N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-methoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-methoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-methoxyethyl]propan-1-amine is CCCNC(COC)C1CSC(C)C(C)S1.
What is the InChIKey of N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-methoxyethyl]propan-1-amine?
The InChIKey is MKHCTJSUOZVZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS2/c1-5-6-13-11(7-14-4)12-8-15-9(2)10(3)16-12/h9-13H,5-8H2,1-4H3.
What are the key properties of N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-methoxyethyl]propan-1-amine?
N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-methoxyethyl]propan-1-amine has a molecular weight of 263.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-methoxyethyl]propan-1-amine is sourced from PubChem (CID 103346440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).