N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]cyclopropanamine

C15H23BrN2OS — CID 62260521

IUPACN-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCN(Cc1csc(Br)c1)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C15H23BrN2OS/c1-18(7-12-6-14(16)20-8-12)10-15(4-5-19-11-15)9-17-13-2-3-13/h6,8,13,17H,2-5,7,9-11H2,1H3
InChIKeyLYUKVSKWOSLYNG-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.10
Rot. Bonds7

About N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62260521) has the molecular formula C15H23BrN2OS and a molecular weight of 359.33 g/mol. Its IUPAC name is N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62260521
Molecular FormulaC15H23BrN2OS
Molecular Weight359.33 g/mol
Exact Mass358.07
IUPAC NameN-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCN(Cc1csc(Br)c1)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C15H23BrN2OS/c1-18(7-12-6-14(16)20-8-12)10-15(4-5-19-11-15)9-17-13-2-3-13/h6,8,13,17H,2-5,7,9-11H2,1H3
InChIKeyLYUKVSKWOSLYNG-UHFFFAOYSA-N
XLogP3.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 62260521) is N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]cyclopropanamine is CN(Cc1csc(Br)c1)CC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is LYUKVSKWOSLYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2OS/c1-18(7-12-6-14(16)20-8-12)10-15(4-5-19-11-15)9-17-13-2-3-13/h6,8,13,17H,2-5,7,9-11H2,1H3.
What are the key properties of N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 359.33 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62260521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).