N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine

C11H17BrN2S — CID 103981707

IUPACN-[(5-bromothiophen-2-yl)methyl]azepan-4-amine
SMILESBrc1ccc(CNC2CCCNCC2)s1
InChIInChI=1S/C11H17BrN2S/c12-11-4-3-10(15-11)8-14-9-2-1-6-13-7-5-9/h3-4,9,13-14H,1-2,5-8H2
InChIKeyZDVLGTOYSLQNMF-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.74
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine

N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine (PubChem CID 103981707) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]azepan-4-amine
PubChem CID103981707
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]azepan-4-amine
SMILESBrc1ccc(CNC2CCCNCC2)s1
InChIInChI=1S/C11H17BrN2S/c12-11-4-3-10(15-11)8-14-9-2-1-6-13-7-5-9/h3-4,9,13-14H,1-2,5-8H2
InChIKeyZDVLGTOYSLQNMF-UHFFFAOYSA-N
XLogP2.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
[4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 103753139
N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083500
N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
CID 62055887
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221
N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091163
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine
CID 43234226
N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327
N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine
CID 63624209
N-[(3-bromophenyl)methyl]azepan-4-amine
CID 103981810
4-[(5-bromothiophen-2-yl)methyl]piperidine
CID 82049677
(3S)-N-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81129935

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine (CID 103981707) is N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine is Brc1ccc(CNC2CCCNCC2)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine?
The InChIKey is ZDVLGTOYSLQNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c12-11-4-3-10(15-11)8-14-9-2-1-6-13-7-5-9/h3-4,9,13-14H,1-2,5-8H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine?
N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine has a molecular weight of 289.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine is sourced from PubChem (CID 103981707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).