N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine

C13H28N2OS — CID 112665945

IUPACN-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
SMILESCCNCC1CCC(CN(C)C(C)CSC)O1
InChIInChI=1S/C13H28N2OS/c1-5-14-8-12-6-7-13(16-12)9-15(3)11(2)10-17-4/h11-14H,5-10H2,1-4H3
InChIKeyJCXFFPRADRNJAN-UHFFFAOYSA-N
MW260.45 g/mol
LogP1.83
Rot. Bonds8

About N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine

N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine (PubChem CID 112665945) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
PubChem CID112665945
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC NameN-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
SMILESCCNCC1CCC(CN(C)C(C)CSC)O1
InChIInChI=1S/C13H28N2OS/c1-5-14-8-12-6-7-13(16-12)9-15(3)11(2)10-17-4/h11-14H,5-10H2,1-4H3
InChIKeyJCXFFPRADRNJAN-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 112665944
N-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine
CID 115987811
N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine
CID 124854325
N,4-dimethyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]pentan-2-amine
CID 62461429
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81067383
N-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylbutan-1-amine
CID 79482402
N-[[5-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 55074326
4-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methylcyclohexan-1-amine
CID 62412851
N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine
CID 102997663
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine
CID 82754260
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline
CID 55072223
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-methylbutan-2-amine
CID 62419353

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine (CID 112665945) is N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine is CCNCC1CCC(CN(C)C(C)CSC)O1.
What is the InChIKey of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The InChIKey is JCXFFPRADRNJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-5-14-8-12-6-7-13(16-12)9-15(3)11(2)10-17-4/h11-14H,5-10H2,1-4H3.
What are the key properties of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine has a molecular weight of 260.45 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 112665945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).