N-[(3-bromothiophen-2-yl)methyl]cyclooctanamine

C13H20BrNS — CID 63488961

IUPACN-[(3-bromothiophen-2-yl)methyl]cyclooctanamine
SMILESBrc1ccsc1CNC1CCCCCCC1
InChIInChI=1S/C13H20BrNS/c14-12-8-9-16-13(12)10-15-11-6-4-2-1-3-5-7-11/h8-9,11,15H,1-7,10H2
InChIKeyLXEPQDHWDQLQPB-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.71
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]cyclooctanamine

N-[(3-bromothiophen-2-yl)methyl]cyclooctanamine (PubChem CID 63488961) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]cyclooctanamine
PubChem CID63488961
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]cyclooctanamine
SMILESBrc1ccsc1CNC1CCCCCCC1
InChIInChI=1S/C13H20BrNS/c14-12-8-9-16-13(12)10-15-11-6-4-2-1-3-5-7-11/h8-9,11,15H,1-7,10H2
InChIKeyLXEPQDHWDQLQPB-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromothiophen-2-yl)methyl]cyclooctanamine 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-[(3-bromothiophen-2-yl)methyl]thian-4-amine
CID 78943460
N-[(3-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63491927
N-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine
CID 104756829
2-[4-[(3-bromothiophen-2-yl)methylamino]piperidin-1-yl]acetamide
CID 115380130
N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine
CID 80645158
N-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine
CID 79692331
N-[(3-bromothiophen-2-yl)methyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252511
N-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 62717986
2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine
CID 63413437
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
N-[5-(3-bromothiophen-2-yl)pent-3-enyl]cyclopropanamine
CID 79591623
N-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418492

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]cyclooctanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]cyclooctanamine (CID 63488961) is N-[(3-bromothiophen-2-yl)methyl]cyclooctanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]cyclooctanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]cyclooctanamine is Brc1ccsc1CNC1CCCCCCC1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]cyclooctanamine?
The InChIKey is LXEPQDHWDQLQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c14-12-8-9-16-13(12)10-15-11-6-4-2-1-3-5-7-11/h8-9,11,15H,1-7,10H2.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]cyclooctanamine?
N-[(3-bromothiophen-2-yl)methyl]cyclooctanamine has a molecular weight of 302.28 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]cyclooctanamine is sourced from PubChem (CID 63488961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).