N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine

C13H24BrNO — CID 65004803

IUPACN-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine
SMILESCN(CC1(CBr)CCOCC1)C1CCCC1
InChIInChI=1S/C13H24BrNO/c1-15(12-4-2-3-5-12)11-13(10-14)6-8-16-9-7-13/h12H,2-11H2,1H3
InChIKeyOMLMCQAAHANCRN-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.05
Rot. Bonds4

About N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine

N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine (PubChem CID 65004803) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine
PubChem CID65004803
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC NameN-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine
SMILESCN(CC1(CBr)CCOCC1)C1CCCC1
InChIInChI=1S/C13H24BrNO/c1-15(12-4-2-3-5-12)11-13(10-14)6-8-16-9-7-13/h12H,2-11H2,1H3
InChIKeyOMLMCQAAHANCRN-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine?
The IUPAC name of N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine (CID 65004803) is N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine is CN(CC1(CBr)CCOCC1)C1CCCC1.
What is the InChIKey of N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine?
The InChIKey is OMLMCQAAHANCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-15(12-4-2-3-5-12)11-13(10-14)6-8-16-9-7-13/h12H,2-11H2,1H3.
What are the key properties of N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine?
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine has a molecular weight of 290.25 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine is sourced from PubChem (CID 65004803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).