N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine

C14H19BrN2 — CID 63962824

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine
SMILESCN(CC1CC2CCC1C2)c1cccc(Br)n1
InChIInChI=1S/C14H19BrN2/c1-17(14-4-2-3-13(15)16-14)9-12-8-10-5-6-11(12)7-10/h2-4,10-12H,5-9H2,1H3
InChIKeyVHNHBDVQRCHYRM-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.72
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine (PubChem CID 63962824) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine
PubChem CID63962824
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine
SMILESCN(CC1CC2CCC1C2)c1cccc(Br)n1
InChIInChI=1S/C14H19BrN2/c1-17(14-4-2-3-13(15)16-14)9-12-8-10-5-6-11(12)7-10/h2-4,10-12H,5-9H2,1H3
InChIKeyVHNHBDVQRCHYRM-UHFFFAOYSA-N
XLogP3.72
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine (CID 63962824) is N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine is CN(CC1CC2CCC1C2)c1cccc(Br)n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine?
The InChIKey is VHNHBDVQRCHYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-17(14-4-2-3-13(15)16-14)9-12-8-10-5-6-11(12)7-10/h2-4,10-12H,5-9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine has a molecular weight of 295.22 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridin-2-amine is sourced from PubChem (CID 63962824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).