2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine

C14H21BrN2S — CID 102844765

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine
SMILESCc1sc(C2C(N)CCCCN2C2CC2)cc1Br
InChIInChI=1S/C14H21BrN2S/c1-9-11(15)8-13(18-9)14-12(16)4-2-3-7-17(14)10-5-6-10/h8,10,12,14H,2-7,16H2,1H3
InChIKeyMAACQGIANAUXHI-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.84
Rot. Bonds2

About 2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine

2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine (PubChem CID 102844765) has the molecular formula C14H21BrN2S and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine
PubChem CID102844765
Molecular FormulaC14H21BrN2S
Molecular Weight329.31 g/mol
Exact Mass328.06
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine
SMILESCc1sc(C2C(N)CCCCN2C2CC2)cc1Br
InChIInChI=1S/C14H21BrN2S/c1-9-11(15)8-13(18-9)14-12(16)4-2-3-7-17(14)10-5-6-10/h8,10,12,14H,2-7,16H2,1H3
InChIKeyMAACQGIANAUXHI-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-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

[2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 102844551
2-(4-bromo-5-methylthiophen-2-yl)-1-tert-butylpiperidin-3-amine
CID 102844737
2-(4-bromo-5-methylthiophen-2-yl)oxan-3-amine
CID 102845718
3-bromo-5-cyclohexyl-2-methylthiophene
CID 102297438
5-amino-6-(4-bromo-5-methylthiophen-2-yl)-1-propylpiperidin-2-one
CID 102844670
[2-(4-bromo-5-methylthiophen-2-yl)-1-propan-2-ylpiperidin-3-yl]methanamine
CID 102844546
2-(3-bromofuran-2-yl)-1-cyclopropylpiperidin-3-amine
CID 106889465
5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
CID 102845819
1-[2-(4-bromo-5-methylthiophen-2-yl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 102844581
[2-(4-bromo-5-methylthiophen-2-yl)oxan-3-yl]methanamine
CID 102844835
5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
CID 102845758
5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione
CID 102838029

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine (CID 102844765) is 2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine is Cc1sc(C2C(N)CCCCN2C2CC2)cc1Br.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine?
The InChIKey is MAACQGIANAUXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2S/c1-9-11(15)8-13(18-9)14-12(16)4-2-3-7-17(14)10-5-6-10/h8,10,12,14H,2-7,16H2,1H3.
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine?
2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine has a molecular weight of 329.31 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropylazepan-3-amine is sourced from PubChem (CID 102844765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).