N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine

C16H27BrN2OS — CID 62260522

IUPACN-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCN(Cc1csc(Br)c1)CC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C16H27BrN2OS/c1-15(2,3)18-10-16(5-6-20-12-16)11-19(4)8-13-7-14(17)21-9-13/h7,9,18H,5-6,8,10-12H2,1-4H3
InChIKeyVLVQDSZASQVTPJ-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.74
Rot. Bonds6

About N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62260522) has the molecular formula C16H27BrN2OS and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62260522
Molecular FormulaC16H27BrN2OS
Molecular Weight375.38 g/mol
Exact Mass374.10
IUPAC NameN-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCN(Cc1csc(Br)c1)CC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C16H27BrN2OS/c1-15(2,3)18-10-16(5-6-20-12-16)11-19(4)8-13-7-14(17)21-9-13/h7,9,18H,5-6,8,10-12H2,1-4H3
InChIKeyVLVQDSZASQVTPJ-UHFFFAOYSA-N
XLogP3.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.74
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]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 62260522) is N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine is CN(Cc1csc(Br)c1)CC1(CNC(C)(C)C)CCOC1.
What is the InChIKey of N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VLVQDSZASQVTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2OS/c1-15(2,3)18-10-16(5-6-20-12-16)11-19(4)8-13-7-14(17)21-9-13/h7,9,18H,5-6,8,10-12H2,1-4H3.
What are the key properties of N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 375.38 g/mol, XLogP of 3.74, 6 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]-2-methylpropan-2-amine is sourced from PubChem (CID 62260522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).