4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N-methylazepan-4-amine

C15H26BrN3S — CID 65078817

IUPAC4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N-methylazepan-4-amine
SMILESCCN1CCCC(CN)(N(C)Cc2csc(Br)c2)CC1
InChIInChI=1S/C15H26BrN3S/c1-3-19-7-4-5-15(12-17,6-8-19)18(2)10-13-9-14(16)20-11-13/h9,11H,3-8,10,12,17H2,1-2H3
InChIKeyXIYLHJYTBWYPBM-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.15
Rot. Bonds5

About 4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N-methylazepan-4-amine

4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N-methylazepan-4-amine (PubChem CID 65078817) has the molecular formula C15H26BrN3S and a molecular weight of 360.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N-methylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N-methylazepan-4-amine
PubChem CID65078817
Molecular FormulaC15H26BrN3S
Molecular Weight360.37 g/mol
Exact Mass359.10
IUPAC Name4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N-methylazepan-4-amine
SMILESCCN1CCCC(CN)(N(C)Cc2csc(Br)c2)CC1
InChIInChI=1S/C15H26BrN3S/c1-3-19-7-4-5-15(12-17,6-8-19)18(2)10-13-9-14(16)20-11-13/h9,11H,3-8,10,12,17H2,1-2H3
InChIKeyXIYLHJYTBWYPBM-UHFFFAOYSA-N
XLogP3.15
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N-methylazepan-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

1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63473105
1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine
CID 64623184
4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine
CID 65075665
4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine
CID 65078408
4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine
CID 65075624
2-[1-(aminomethyl)cyclobutyl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine
CID 81171238
1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine
CID 79521426
4-(aminomethyl)-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 61411927
4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine
CID 65076127
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine
CID 28798824
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65078163
4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine
CID 65076321

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N-methylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N-methylazepan-4-amine (CID 65078817) is 4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N-methylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N-methylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N-methylazepan-4-amine is CCN1CCCC(CN)(N(C)Cc2csc(Br)c2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N-methylazepan-4-amine?
The InChIKey is XIYLHJYTBWYPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3S/c1-3-19-7-4-5-15(12-17,6-8-19)18(2)10-13-9-14(16)20-11-13/h9,11H,3-8,10,12,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N-methylazepan-4-amine?
4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N-methylazepan-4-amine has a molecular weight of 360.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N-methylazepan-4-amine is sourced from PubChem (CID 65078817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).