N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine

C12H19BrN2OS — CID 62259490

IUPACN-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine
SMILESCN(Cc1csc(Br)c1)CC1(CN)CCOC1
InChIInChI=1S/C12H19BrN2OS/c1-15(5-10-4-11(13)17-6-10)8-12(7-14)2-3-16-9-12/h4,6H,2-3,5,7-9,14H2,1H3
InChIKeyIVRSUOYMXNZSLU-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.31
Rot. Bonds5

About N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine

N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine (PubChem CID 62259490) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine
PubChem CID62259490
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine
SMILESCN(Cc1csc(Br)c1)CC1(CN)CCOC1
InChIInChI=1S/C12H19BrN2OS/c1-15(5-10-4-11(13)17-6-10)8-12(7-14)2-3-16-9-12/h4,6H,2-3,5,7-9,14H2,1H3
InChIKeyIVRSUOYMXNZSLU-UHFFFAOYSA-N
XLogP2.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine (CID 62259490) is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine is CN(Cc1csc(Br)c1)CC1(CN)CCOC1.
What is the InChIKey of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine?
The InChIKey is IVRSUOYMXNZSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-15(5-10-4-11(13)17-6-10)8-12(7-14)2-3-16-9-12/h4,6H,2-3,5,7-9,14H2,1H3.
What are the key properties of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine?
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine has a molecular weight of 319.27 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 62259490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).