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

C15H25BrN2OS — CID 62260350

IUPACN-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)Cc2csc(Br)c2)CCOC1
InChIInChI=1S/C15H25BrN2OS/c1-12(2)17-9-15(4-5-19-11-15)10-18(3)7-13-6-14(16)20-8-13/h6,8,12,17H,4-5,7,9-11H2,1-3H3
InChIKeyZUYNXBMHGTYGJM-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.35
Rot. Bonds7

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

N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62260350) has the molecular formula C15H25BrN2OS and a molecular weight of 361.35 g/mol. Its IUPAC name is N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID62260350
Molecular FormulaC15H25BrN2OS
Molecular Weight361.35 g/mol
Exact Mass360.09
IUPAC NameN-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)Cc2csc(Br)c2)CCOC1
InChIInChI=1S/C15H25BrN2OS/c1-12(2)17-9-15(4-5-19-11-15)10-18(3)7-13-6-14(16)20-8-13/h6,8,12,17H,4-5,7,9-11H2,1-3H3
InChIKeyZUYNXBMHGTYGJM-UHFFFAOYSA-N
XLogP3.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.35
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]propan-2-amine?
The IUPAC name of N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-2-amine (CID 62260350) is N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(CN(C)Cc2csc(Br)c2)CCOC1.
What is the InChIKey of N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is ZUYNXBMHGTYGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2OS/c1-12(2)17-9-15(4-5-19-11-15)10-18(3)7-13-6-14(16)20-8-13/h6,8,12,17H,4-5,7,9-11H2,1-3H3.
What are the key properties of N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-2-amine?
N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 361.35 g/mol, XLogP of 3.35, 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]propan-2-amine is sourced from PubChem (CID 62260350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).