N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine

C15H25NO2S — CID 107558038

IUPACN-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(COCC2CCCCO2)s1
InChIInChI=1S/C15H25NO2S/c1-12(2)16-9-14-6-7-15(19-14)11-17-10-13-5-3-4-8-18-13/h6-7,12-13,16H,3-5,8-11H2,1-2H3
InChIKeyVKUSXPFKPLFYFP-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.33
Rot. Bonds7

About N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine

N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107558038) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID107558038
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(COCC2CCCCO2)s1
InChIInChI=1S/C15H25NO2S/c1-12(2)16-9-14-6-7-15(19-14)11-17-10-13-5-3-4-8-18-13/h6-7,12-13,16H,3-5,8-11H2,1-2H3
InChIKeyVKUSXPFKPLFYFP-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559038
N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine
CID 55088440
N-[[5-(oxolan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 55077843
N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107558214
N-[2-[4-(oxolan-2-ylmethoxymethyl)phenyl]ethyl]propan-2-amine
CID 105349489
2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80720268
5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide
CID 63574396
N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558833
1-[5-(cyclohexylmethoxymethyl)thiophen-2-yl]-N-methylmethanamine
CID 107558835
2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole
CID 79764859
2-methyl-N-[[2-(oxan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62444899
N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43591754

Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine (CID 107558038) is N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(COCC2CCCCO2)s1.
What is the InChIKey of N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is VKUSXPFKPLFYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-12(2)16-9-14-6-7-15(19-14)11-17-10-13-5-3-4-8-18-13/h6-7,12-13,16H,3-5,8-11H2,1-2H3.
What are the key properties of N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107558038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).