N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine

C16H23BrN2S2 — CID 107556552

IUPACN-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(CN(C)Cc2csc(Br)c2)s1
InChIInChI=1S/C16H23BrN2S2/c1-12(2)7-18-8-14-4-5-15(21-14)10-19(3)9-13-6-16(17)20-11-13/h4-6,11-12,18H,7-10H2,1-3H3
InChIKeyQLPNVOYKVCIHES-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.95
Rot. Bonds8

About N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107556552) has the molecular formula C16H23BrN2S2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID107556552
Molecular FormulaC16H23BrN2S2
Molecular Weight387.41 g/mol
Exact Mass386.05
IUPAC NameN-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(CN(C)Cc2csc(Br)c2)s1
InChIInChI=1S/C16H23BrN2S2/c1-12(2)7-18-8-14-4-5-15(21-14)10-19(3)9-13-6-16(17)20-11-13/h4-6,11-12,18H,7-10H2,1-3H3
InChIKeyQLPNVOYKVCIHES-UHFFFAOYSA-N
XLogP4.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107556559
N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260009
N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine
CID 107555759
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62288831
2-N-[(5-bromothiophen-3-yl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62461722
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107555361
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62461899
N-[[5-[[(4-bromophenyl)methyl-methylamino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555405
N-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine
CID 62462074
N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine
CID 62461191
2-[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]phenyl]propanoic acid
CID 105345828
1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine
CID 62462608

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine (CID 107556552) is N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(CN(C)Cc2csc(Br)c2)s1.
What is the InChIKey of N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QLPNVOYKVCIHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2S2/c1-12(2)7-18-8-14-4-5-15(21-14)10-19(3)9-13-6-16(17)20-11-13/h4-6,11-12,18H,7-10H2,1-3H3.
What are the key properties of N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 387.41 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107556552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).