5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine

C13H19BrN2O — CID 107081253

IUPAC5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCCCO1)c1ccc(CBr)cn1
InChIInChI=1S/C13H19BrN2O/c1-16(10-12-4-2-3-7-17-12)13-6-5-11(8-14)9-15-13/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyPYTRLLMSEWVOOU-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.98
Rot. Bonds4

About 5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine

5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine (PubChem CID 107081253) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine
PubChem CID107081253
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCCCO1)c1ccc(CBr)cn1
InChIInChI=1S/C13H19BrN2O/c1-16(10-12-4-2-3-7-17-12)13-6-5-11(8-14)9-15-13/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyPYTRLLMSEWVOOU-UHFFFAOYSA-N
XLogP2.98
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
CID 55059023
N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 133271782
5-(bromomethyl)-N,3-dimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 107081226
5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103915128
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 43591832
N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 62281999
5-(bromomethyl)-N-cycloheptyl-N-methylpyridin-2-amine
CID 107080628
5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine
CID 107079365
N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 133271800
[5-[methyl(oxolan-2-ylmethyl)amino]pyrazin-2-yl]methanol
CID 107372756
4-(bromomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 107081234
5-chloro-N-methyl-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine
CID 135114005

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine (CID 107081253) is 5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine is CN(CC1CCCCO1)c1ccc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine?
The InChIKey is PYTRLLMSEWVOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-16(10-12-4-2-3-7-17-12)13-6-5-11(8-14)9-15-13/h5-6,9,12H,2-4,7-8,10H2,1H3.
What are the key properties of 5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine?
5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine has a molecular weight of 299.21 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 107081253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).