N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine

C14H22BrNS — CID 65002220

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
SMILESCN(Cc1ccsc1)CC1(CBr)CCCCC1
InChIInChI=1S/C14H22BrNS/c1-16(9-13-5-8-17-10-13)12-14(11-15)6-3-2-4-7-14/h5,8,10H,2-4,6-7,9,11-12H2,1H3
InChIKeyOGOZHDAMFVEWQL-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.53
Rot. Bonds5

About N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine

N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine (PubChem CID 65002220) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
PubChem CID65002220
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
SMILESCN(Cc1ccsc1)CC1(CBr)CCCCC1
InChIInChI=1S/C14H22BrNS/c1-16(9-13-5-8-17-10-13)12-14(11-15)6-3-2-4-7-14/h5,8,10H,2-4,6-7,9,11-12H2,1H3
InChIKeyOGOZHDAMFVEWQL-UHFFFAOYSA-N
XLogP4.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine 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-[[1-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 62257148
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 55167019
[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methanol
CID 55241090
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine
CID 65002738
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 65009839
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine
CID 65009198
N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63741009
N-[[1-(bromomethyl)cycloheptyl]methyl]-1-(2-bromophenyl)-N-methylmethanamine
CID 65010325
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65009934
2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392863
N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392692
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine (CID 65002220) is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine is CN(Cc1ccsc1)CC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The InChIKey is OGOZHDAMFVEWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-16(9-13-5-8-17-10-13)12-14(11-15)6-3-2-4-7-14/h5,8,10H,2-4,6-7,9,11-12H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine?
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine has a molecular weight of 316.31 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 65002220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).