N-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine

C10H21NO2S — CID 81101810

IUPACN-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCC1CCOCO1
InChIInChI=1S/C10H21NO2S/c1-9(7-14-2)5-11-6-10-3-4-12-8-13-10/h9-11H,3-8H2,1-2H3
InChIKeyWFKLFTOVGNRGTE-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.34
Rot. Bonds6

About N-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine

N-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 81101810) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID81101810
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCC1CCOCO1
InChIInChI=1S/C10H21NO2S/c1-9(7-14-2)5-11-6-10-3-4-12-8-13-10/h9-11H,3-8H2,1-2H3
InChIKeyWFKLFTOVGNRGTE-UHFFFAOYSA-N
XLogP1.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine (CID 81101810) is N-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine is CSCC(C)CNCC1CCOCO1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is WFKLFTOVGNRGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(7-14-2)5-11-6-10-3-4-12-8-13-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
N-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 81101810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).