N-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine

C13H24BrN — CID 65009854

IUPACN-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine
SMILESCN(CC1CCCC1)CC1(CBr)CCC1
InChIInChI=1S/C13H24BrN/c1-15(9-12-5-2-3-6-12)11-13(10-14)7-4-8-13/h12H,2-11H2,1H3
InChIKeyBTURDXUNBWYBLT-UHFFFAOYSA-N
MW274.25 g/mol
LogP3.67
Rot. Bonds5

About N-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine

N-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine (PubChem CID 65009854) has the molecular formula C13H24BrN and a molecular weight of 274.25 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine
PubChem CID65009854
Molecular FormulaC13H24BrN
Molecular Weight274.25 g/mol
Exact Mass273.11
IUPAC NameN-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine
SMILESCN(CC1CCCC1)CC1(CBr)CCC1
InChIInChI=1S/C13H24BrN/c1-15(9-12-5-2-3-6-12)11-13(10-14)7-4-8-13/h12H,2-11H2,1H3
InChIKeyBTURDXUNBWYBLT-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 65013492
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 65006542
[1-[[cyclohexylmethyl(methyl)amino]methyl]cyclobutyl]methanol
CID 115247051
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 63633209
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 63631821
N-[[1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopentyl]methyl]cyclopropanamine
CID 63633194
N-[[1-[[cyclobutylmethyl(methyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 55125957
N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 65009044
[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methanol
CID 62272579
N-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79319455
N-[[1-[[cyclobutylmethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 62860855
1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416258

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine (CID 65009854) is N-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine is CN(CC1CCCC1)CC1(CBr)CCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine?
The InChIKey is BTURDXUNBWYBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN/c1-15(9-12-5-2-3-6-12)11-13(10-14)7-4-8-13/h12H,2-11H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine?
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine has a molecular weight of 274.25 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine is sourced from PubChem (CID 65009854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).