N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine

C13H26BrN — CID 65001469

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)CC1(CBr)CCCC1
InChIInChI=1S/C13H26BrN/c1-4-12(2)9-15(3)11-13(10-14)7-5-6-8-13/h12H,4-11H2,1-3H3
InChIKeySHBWVGXXFPLPLT-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.92
Rot. Bonds6

About N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine

N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine (PubChem CID 65001469) has the molecular formula C13H26BrN and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine
PubChem CID65001469
Molecular FormulaC13H26BrN
Molecular Weight276.26 g/mol
Exact Mass275.12
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)CC1(CBr)CCCC1
InChIInChI=1S/C13H26BrN/c1-4-12(2)9-15(3)11-13(10-14)7-5-6-8-13/h12H,4-11H2,1-3H3
InChIKeySHBWVGXXFPLPLT-UHFFFAOYSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.92
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)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine
CID 65009362
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,3-dimethylbutan-1-amine
CID 65003333
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65001962
N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-1-amine
CID 63143220
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine
CID 65010565
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65009142
N-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine
CID 63129369
1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62270655
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine
CID 65009190
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81062152
N'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 65002615
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine
CID 65009568

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine (CID 65001469) is N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine is CCC(C)CN(C)CC1(CBr)CCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is SHBWVGXXFPLPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrN/c1-4-12(2)9-15(3)11-13(10-14)7-5-6-8-13/h12H,4-11H2,1-3H3.
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine?
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 276.26 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 65001469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).