N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine

C15H24BrNOS — CID 114535172

IUPACN-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2sccc2Br)CCOC1C
InChIInChI=1S/C15H24BrNOS/c1-11(2)9-17-10-15(5-6-18-12(15)3)8-14-13(16)4-7-19-14/h4,7,11-12,17H,5-6,8-10H2,1-3H3
InChIKeyFWXUGKRAZPUWFD-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.09
Rot. Bonds6

About N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine

N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 114535172) has the molecular formula C15H24BrNOS and a molecular weight of 346.33 g/mol. Its IUPAC name is N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID114535172
Molecular FormulaC15H24BrNOS
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC NameN-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2sccc2Br)CCOC1C
InChIInChI=1S/C15H24BrNOS/c1-11(2)9-17-10-15(5-6-18-12(15)3)8-14-13(16)4-7-19-14/h4,7,11-12,17H,5-6,8-10H2,1-3H3
InChIKeyFWXUGKRAZPUWFD-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 114535172) is N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(Cc2sccc2Br)CCOC1C.
What is the InChIKey of N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is FWXUGKRAZPUWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNOS/c1-11(2)9-17-10-15(5-6-18-12(15)3)8-14-13(16)4-7-19-14/h4,7,11-12,17H,5-6,8-10H2,1-3H3.
What are the key properties of N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 346.33 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114535172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).