N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine

C13H19Br2NS — CID 65002893

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine
SMILESCN(Cc1csc(Br)c1)CC1(CBr)CCCC1
InChIInChI=1S/C13H19Br2NS/c1-16(7-11-6-12(15)17-8-11)10-13(9-14)4-2-3-5-13/h6,8H,2-5,7,9-10H2,1H3
InChIKeySFQJVRNCJAXJLM-UHFFFAOYSA-N
MW381.18 g/mol
LogP4.90
Rot. Bonds5

About N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine

N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine (PubChem CID 65002893) has the molecular formula C13H19Br2NS and a molecular weight of 381.18 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine
PubChem CID65002893
Molecular FormulaC13H19Br2NS
Molecular Weight381.18 g/mol
Exact Mass378.96
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine
SMILESCN(Cc1csc(Br)c1)CC1(CBr)CCCC1
InChIInChI=1S/C13H19Br2NS/c1-16(7-11-6-12(15)17-8-11)10-13(9-14)4-2-3-5-13/h6,8H,2-5,7,9-10H2,1H3
InChIKeySFQJVRNCJAXJLM-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.18
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromothiophen-3-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]methanamine
CID 62258974
N-[[1-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine
CID 63494298
[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976688
2-[1-(aminomethyl)cyclobutyl]-N-[(5-bromothiophen-3-yl)methyl]-N-methylethanamine
CID 81171238
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 65002220
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine
CID 65002738
N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391516
1-(5-bromothiophen-3-yl)-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]methanamine
CID 106981793
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine
CID 65009198
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 65009839
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pentan-3-ol
CID 115919436
N-[[1-(bromomethyl)cycloheptyl]methyl]-1-(2-bromophenyl)-N-methylmethanamine
CID 65010325

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine (CID 65002893) is N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine is CN(Cc1csc(Br)c1)CC1(CBr)CCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine?
The InChIKey is SFQJVRNCJAXJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NS/c1-16(7-11-6-12(15)17-8-11)10-13(9-14)4-2-3-5-13/h6,8H,2-5,7,9-10H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine?
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine has a molecular weight of 381.18 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(5-bromothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 65002893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).